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</script>K.G.K. (Quality Editions)http://www.blogger.com/profile/18164345508953392426noreply@blogger.com1tag:blogger.com,1999:blog-69387733388315341.post-29099813767122921832020-05-11T15:08:00.005+03:002022-06-26T15:16:48.522+03:00Repurposing existing drugs for coronavirus 2019-nCoV (covid-19): in silico trial
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<div class="breadcrumbs"><a href="https://chem-net.blogspot.com/">Home</a> > <a href="https://chem-net.blogspot.com/p/theoretical-chemistry.html"> Physical & Theoretical Chemistry</a> > <a href="https://chem-net.blogspot.com/2020/05/computational-chemistry.html"> Computational Chemistry</a> > Repurposing existing drugs for coronavirus 2019-nCoV (covid-19): in silico trial </div>
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<meta itemprop='articleBody' content="In a previous post entitled "Drug Repurposing for coronavirus (COVID-19): in silico screening of known drugs against SARS-CoV-2 Spike protein" already approved drugs that have some efficacy against similar type of viruses were tested with SARS-CoV-2 Spike protein bound to angiotensin converting enzyme 2 (ACE2) (6M0J: Receptor binding domain, RBD) using computational chemistry methods and molecular docking. These drugs listed in Table I.1 of the above post were as follows: darunavir, remdesivir, chloroquine, hydroxychloroquine, colchicine, favipavir, oceltamivir.
Amongst the above drugs the highest binding affinity for 6M0J is shown by darunavir (-8.4 kcal/mol) according to Autodock Vina (the second highest affinity is shown by remdesivir -6.4 and the third by remdesivir -8.0 kcal/mol) . Darunavir shows the second highest affinity according to iGemDock (-117.0429) while remdesivir scores higher (-129.6619).
It should be mentioned that computational chemistry methods and molecular docking results of drug efficacies not to be taken as medical advice or evidence supporting a specific treatment.
The same procedure is followed in this post to test the binding affinity of lopinavir for the SARS-CoV-2 Spike protein bound to angiotensin converting enzyme 2 (ACE2) (6M0J: Receptor binding domain, RBD). It is known that the virus enter the host cell by binding of the viral spike glycoprotein to the host receptor, angiotensin converting enzyme 2 (ACE2). Lopinavir is an antiretrovial of the protease inhibitor class. It is an approved drug used against HIV infections in combination with another protease inhibitor, ritonavir.
The steps required for drug screening are as follows:
Find the 3D molecular structures of Covid-19 from the Protein Data Bank
Find the molecular structures of drugs (ligands) with efficacy against similar viruses.
Hundrends of drugs can be found. In this case lopinavir is going to be tested. The 3D and 2D structures of lopinavir is shown in Fig. I.2 below:
Find the ground state optimization of these drugs (ligands).
The ground state optimization of a compound is the molecular geometry with the lowest energy (the most stable molecular geometry). There are several computational chemistry softwares that use semiempirical and ab initio methods to obtain the ground state geometry of a compound. Some of them are: Gamess, Gaussian, Orca, Avogadro, Firefly, Arguslab. The Arguslab software was used and the PM3 method was selected. This method is semiempirical and fast but not as accurate as the high level ab intio methods. PM3, or Parametric Method 3, is based on the Neglect of Differential Diatomic Overlap integral approximation. The Orca software was also used for two ab initio methods STO3G/def2SVP and PBE0/def2SVP. The accuracy of the methods regarding molecular geometry optimization (ground state energy) is as follows: PM3 < STO3G/def2SVP < PBE0/def2SVP.
The ground state optimized structure of lopinavir using the PBE0/def2SVP method is shown in Fig. I.3:
Calculate the HOMO - LUMO gap (energy difference gap between the HOMO and LUMO molecular orbitals) at the ground state molecular geometry of the drug (ligand) (from the above step).
The energy gap between the HOMO (highest occupied molecular orbital) and the LUMO (lowest unoccupied molecular orbital) is an important quantum chemical parameter that characterizes the chemical reactivity of a molecule. A molecule with a small energy gap is more reactive compared to a molecule with a large HOMO - LUMO gap. The HOMO - LUMO gap energy of each drug was calculated and is shown in Tables I.1 - I.3
The interaction of the above mentioned drugs (ligands) with SARS-CoV-2 spike receptor-binding domain bound with ACE2 (6M0J) (receptor) were determined using Molecular Docking.
The interaction of drugs with Covid-19 SARS-CoV-2 spike receptor-binding domain bound with ACE2 (6M0J) (receptor) were determined using two softwares Autodock Vina and iGemDock. During the docking process, the receptor and the ligand are rotated around their own coordinate origin and the separation between the two origins is varied. A score is calculated for each orientation and the lower binding energy obtained corresponds to the best interaction between the receptor and the ligand (highest binding affinity).
The results obtained are shown in Tables I.1 - I.3 below:
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<h1><strong>Repurposing existing drugs for coronavirus 2019-nCoV (covid-19): in silico trial</strong></h1>
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<p>In a previous post entitled "<a href="https://chem-net.blogspot.com/2020/05/drug-repurposing-for-covid-19-in-silico-screening.html" title="Drug Repurposing for coronavirus (COVID-19): in silico screening of known drugs against SARS-CoV-2 Spike protein"><strong>Drug Repurposing for coronavirus (COVID-19): in silico screening of known drugs against SARS-CoV-2 Spike protein</strong></a>" already <strong>approved drugs</strong> that have some efficacy against similar type of viruses were tested with <strong>SARS-CoV-2 Spike protein bound to angiotensin converting enzyme 2 (ACE2)</strong> (<strong>6M0J</strong>: Receptor binding domain, RBD)<strong> </strong>using <strong>computational chemistry methods</strong> and <strong>molecular docking</strong>. These drugs listed in Table I.1 of the above post were as follows: <strong>darunavir</strong>, <strong>remdesivir</strong>, <strong>chloroquine</strong>, <strong>hydroxychloroquine</strong>, <strong>colchicine</strong>, <strong>favipavir</strong>, <strong>oceltamivir</strong>.</p>
<p>Amongst the above drugs the <strong>highest binding affinity</strong> for 6M0J is shown by<strong> darunavir</strong> (-8.4 kcal/mol) according to Autodock Vina (the second highest affinity is shown by <strong>remdesivir</strong> -6.4 and the third by <strong>remdesivir</strong> -8.0 kcal/mol) . Darunavir shows the second highest affinity according to iGemDock (-117.0429) while remdesivir scores higher (-129.6619).</p>
<p><em> <strong>It should be mentioned that computational chemistry methods and molecular docking results of drug efficacies not to be taken as medical advice or evidence supporting a specific treatment.</strong></em></p>
<p>The same procedure is followed in this post to test the binding affinity of <strong>lopinavir</strong> for the <strong>SARS-CoV-2 Spike protein bound to angiotensin converting enzyme 2 (ACE2)</strong> (<strong>6M0J</strong>: Receptor binding domain, RBD). It is known that the virus enter the host cell by binding of the viral spike glycoprotein to the host receptor, angiotensin converting enzyme 2 (ACE2). <strong>Lopinavir</strong> is an antiretrovial of the protease inhibitor class. It is an approved drug used against HIV infections in combination with another protease inhibitor, ritonavir. </p>
<p>The steps required for drug screening are as follows:</p>
</div>
<div></div>
<ul>
<div>
<li>Find the <strong>3D molecular structures</strong> of <strong>Covid-19</strong> from the Protein Data Bank PDB.</li>
<p>The crystallized S<span id="structureTitle">ARS-CoV-2 spike receptor-binding domain bound with ACE2</span><strong> </strong>(6M0J) was selected. It is shown in Fig. I.1 below:</p>
<div>
<p class="formula"><img src="https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEgT8Ou7lsdPgw6yvTUXubmbDOTl-94M_yGvoeZM13XhYWnZLay2HVamWOypUwuIIMSTqE-WWk-LyvRHP1z_nwIcz7jXXagWxYBdQv-Ee_SADV6jg7NXXzdeqxCjXjI_-cYBBAiE5sud7EY/s640/6m0j.jpg" alt="Fig. I.1: SARS-CoV-2 spike receptor-binding domain bound with ACE2 (6M0J)" width="551" height="328" title="Fig. I.1: SARS-CoV-2 spike receptor-binding domain bound with ACE2 (6M0J)"/></span></p>
</div>
<li>Find the molecular structures of <strong>drugs</strong> (<strong>ligands</strong>) with <strong>efficacy against similar viruse</strong>s. </li>
<p> Hundrends of
drugs can be found. In this case <strong>lopinavir</strong> is going to be tested.
The 3D and 2D structures of <strong>lopinavir</strong> is shown in Fig. I.2 below:
<div>
<p class="formula"><a href="https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEjkbZXTF8o9bf_AjitN-0uvNvrUpzKeWxIXnULQvY-fkI_z_-UgBPPPzHb_JReHcA7sAIE2HsrMrp5_4OURJDsEFbQJkrXmkF9Zzf_xmE3FAlvR_2QGdeQ_w9DNeF0aaNA-f8Spc3v5iXE/s640/lopinavir.jpg"><img src="https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEjkbZXTF8o9bf_AjitN-0uvNvrUpzKeWxIXnULQvY-fkI_z_-UgBPPPzHb_JReHcA7sAIE2HsrMrp5_4OURJDsEFbQJkrXmkF9Zzf_xmE3FAlvR_2QGdeQ_w9DNeF0aaNA-f8Spc3v5iXE/s640/lopinavir.jpg" alt="Fig. I.2: remdesivir molecular structure (2d and 3d)" width="640" height="210" title="Fig. I.2: lopinavir 3d and 2d molecular structure"></a>
</div>
<li>Find the ground state optimization of these drugs (ligands). </li>
<p>The <strong>ground state optimization</strong> of a compound
is the <strong>molecular geometry</strong> with the <strong>lowest energy</strong> (<strong>the most stable molecular geometry</strong>). There are several <strong>computational chemistry softwares</strong> that use <strong>semiempirica</strong>l and <strong>ab initio methods</strong> to obtain the ground state geometry of a compound. Some of them are: Gamess, Gaussian, Orca, Avogadro, Firefly, Arguslab. The Arguslab software was used and the PM3 method was selected. This method is semiempirical and fast but not as accurate as the high level ab intio methods. <strong>PM3</strong>, or <strong>Parametric Method 3</strong>, is based on the Neglect of Differential Diatomic Overlap integral approximation.
The Orca software was also used for two ab initio methods STO3G/def2SVP and PBE0/def2SVP. The accuracy of the methods regarding molecular geometry optimization (ground state energy) is as follows: PM3 < STO3G/def2SVP < PBE0/def2SVP.
<p>The ground state optimized structure of lopinavir using the PBE0/def2SVP method is shown in Fig. I.3:
<div>
<p class="formula"><a href="https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEgqn74dhwL1RXCO6UMuICSAs_K3k83uuvofUxBMOnwAaVRdfPRXa3gwVMcl70cMAgsohV_Z_90XEWqgLFgZ-Zi9Z-JI4GHI-BFMkFhL6fxDlX1A5eE_QkBjUEwgxFvNjK45okAD_2cd9zE/s400/lopinavir_pbe0.jpg"><img src="https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEgqn74dhwL1RXCO6UMuICSAs_K3k83uuvofUxBMOnwAaVRdfPRXa3gwVMcl70cMAgsohV_Z_90XEWqgLFgZ-Zi9Z-JI4GHI-BFMkFhL6fxDlX1A5eE_QkBjUEwgxFvNjK45okAD_2cd9zE/s400/lopinavir_pbe0.jpg" alt="Fig. I.3: lopinavir ground state PBE0/def2_SVP optimized structure" width="400" height="260" title="Fig. I.3: lopinavir ground state PBE0/def2_SVP optimized structure"></a> </p>
</div>
<li>Calculate the <strong>HOMO - LUMO gap</strong> (<strong>energy difference gap between the HOMO and LUMO molecular orbitals</strong>) at the ground state molecular geometry of the drug (ligand) (from the above step).</li>
<p>The energy
gap between the <strong>HOMO</strong> (highest occupied molecular orbital) and the <strong>LUMO</strong> (lowest unoccupied molecular orbital) is an important <strong>quantum chemical parameter</strong> that characterizes the <strong>chemical reactivity of a molecule</strong>. A molecule with a small energy gap is more reactive compared to a molecule with a large HOMO - LUMO gap. The
HOMO - LUMO gap
energy of each drug was calculated and is shown in Tables I.1 - I.3</p>
<li>The interaction of the above mentioned <strong>drugs (ligands)</strong> with <strong>S<span id="structureTitle2">ARS-CoV-2 spike receptor-binding domain bound with ACE2</span><strong> </strong>(6M0J)</strong> (<strong>receptor</strong>) were determined using <strong>Molecular Docking.</strong></li>
<p> The <strong>interaction of drugs</strong> with <strong>Covid-19 S<span id="structureTitle3">ARS-CoV-2 spike receptor-binding domain bound with ACE2</span><strong> </strong>(6M0J)</strong> (<strong>receptor</strong>)
were determined using two softwares Autodock Vina and iGemDock. During the docking process, the receptor and the ligand are rotated around their own coordinate origin and the separation between the two origins is varied. A score is calculated for each orientation and the<strong> lower binding energy</strong> obtained corresponds to the best interaction between the receptor and the ligand (<strong>highest binding affinity</strong>). </p>
</div>
</ul>
</p>
<div>
<p> The results obtained are shown in Tables I.1 - I.3 below: </p>
</div>
<div class="separator" style="clear: both; text-align: center;"></div>
<div></div>
<table width="637" border="1" align="center" style="color: #000000; font-style: normal; font-size: 18px; font-family: Baskerville, 'Palatino Linotype', Palatino, 'Century Schoolbook L', 'Times New Roman', serif;">
<tbody>
<tr>
<th colspan="5" bgcolor="#E0C9BA" scope="col"><strong>Table I1: Semiempirical PM3 Chemical & Docking Results for the Interaction of selected Drugs with Covid-19 6M0J </strong></th>
</tr>
<tr>
<th width="1" bgcolor="#E0C9BA" scope="col"> </th>
<th width="181" bgcolor="#E0C9BA" scope="col">Compound</th>
<th width="122" bgcolor="#E0C9BA" scope="col">HOMO-LUMO energy gap (a.u.)</th>
<th width="129" bgcolor="#E0C9BA" scope="col">Docking iGemDock</th>
<th width="205" bgcolor="#E0C9BA" scope="col">Docking
AutoDock - Vina
(kcal/mol)</th>
</tr>
<tr>
<th bgcolor="#F6BD9B" scope="row"> </th>
<td bgcolor="#F6BD9B"><div align="center">remdesivir</div></td>
<td bgcolor="#F6BD9B"><div align="center">0.299555</div></td>
<td bgcolor="#F6BD9B"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="82"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="149">-129.6619</td>
</table></td>
</table>
</div></td>
<td bgcolor="#F6BD9B"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="217"><div align="center">-8.0
</div></td>
</table>
</div></td>
</tr>
<tr>
<th bgcolor="#F6BD9B" scope="row"> </th>
<td bgcolor="#E0C9BA"><div align="center">chloroquine</div></td>
<td bgcolor="#E0C9BA"><div align="center">0.292904</div></td>
<td bgcolor="#E0C9BA"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="82"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="149">-77.8347</td>
</table>
</div></td>
</table>
</div></td>
<td bgcolor="#E0C9BA"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="217"><div align="center">-6.7
</div></td>
</table>
</div></td>
</tr>
<tr>
<th bgcolor="#F6BD9B" scope="row"> </th>
<td bgcolor="#F6BD9B"><div align="center">hydroxychloroquine</div></td>
<td bgcolor="#F6BD9B"><div align="center">0.292930</div></td>
<td bgcolor="#F6BD9B"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="82"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="149">-82.8867</td>
</table>
</div></td>
</table>
</div></td>
<td bgcolor="#F6BD9B"><div align="center">-6.1
</div></td>
</tr>
<tr>
<th bgcolor="#F6BD9B" scope="row"> </th>
<td bgcolor="#E0C9BA"><div align="center">colchicine</div></td>
<td bgcolor="#E0C9BA"><div align="center">0.305204</div></td>
<td bgcolor="#E0C9BA"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="82"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="149">-85.0525</td>
</table>
</div></td>
</table>
</div></td>
<td bgcolor="#E0C9BA"><div align="center">-7.3
</div></td>
</tr>
<tr>
<th bgcolor="#F6BD9B" scope="row"> </th>
<td bgcolor="#F6BD9B"><div align="center">darunavir</div></td>
<td bgcolor="#F6BD9B"><div align="center">0.315079</div></td>
<td bgcolor="#F6BD9B"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="76"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="149">-117.0429</td>
</table>
</div></td>
</table>
</div></td>
<td bgcolor="#F6BD9B"><div align="center">-8.4
</div></td>
</tr>
<tr>
<th bgcolor="#F6BD9B" scope="row"> </th>
<td bgcolor="#E0C9BA"><div align="center">favipavir</div></td>
<td bgcolor="#E0C9BA"><div align="center">0.328258</div></td>
<td bgcolor="#E0C9BA"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="82"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="149">-65.3097</td>
</table>
</div></td>
</table>
</div></td>
<td bgcolor="#E0C9BA"><div align="center">-6.0
</div></td>
</tr>
<tr>
<th bgcolor="#F6BD9B" scope="row"> </th>
<td bgcolor="#F6BD9B"><div align="center">oceltamivir</div></td>
<td bgcolor="#F6BD9B"><div align="center">0.343420</div></td>
<td bgcolor="#F6BD9B"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="82"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="149">-83.5736</td>
</table>
</div></td>
</table>
</div></td>
<td bgcolor="#F6BD9B"><div align="center">-6.0
</div></td>
</tr>
<tr>
<th bgcolor="#F6BD9B" scope="row"> </th>
<td bgcolor="#E0C9BA"><div align="center">lopinavir</div></td>
<td bgcolor="#E0C9BA"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="171"><div align="center">0.343073</div></td>
</table>
</div></td>
<td bgcolor="#E0C9BA"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="82"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="149"><table cellspacing="0" cellpadding="0">
<td width="136">-130.8427</td>
</table></td>
</table>
</div></td>
</table>
</div></td>
<td bgcolor="#E0C9BA"><div align="center">-9.0
</div></td>
</tr>
</table>
</td>
<p> </p>
<table width="637" border="1" align="center" style="color: #000000; font-style: normal; font-size: 18px; font-family: Baskerville, 'Palatino Linotype', Palatino, 'Century Schoolbook L', 'Times New Roman', serif;">
<tbody>
<tr>
<th colspan="5" bgcolor="#E0C9BA" scope="col"><strong>Table I2: Ab Initio STO3G/def2SVP Chemical & Docking Results for the Interaction of Lopinavir with Covid-19 6M0J </strong></th>
</tr>
<tr>
<th width="1" bgcolor="#E0C9BA" scope="col"> </th>
<th width="181" bgcolor="#E0C9BA" scope="col">Compound</th>
<th width="122" bgcolor="#E0C9BA" scope="col">HOMO-LUMO energy gap (a.u.)</th>
<th width="129" bgcolor="#E0C9BA" scope="col">Docking iGemDock</th>
<th width="205" bgcolor="#E0C9BA" scope="col">Docking
AutoDock - Vina
(kcal/mol)</th>
</tr>
<tr>
<th bgcolor="#F6BD9B" scope="row"> </th>
<td bgcolor="#F6BD9B"><div align="center">lopinavir</div></td>
<td bgcolor="#F6BD9B"><div align="center"> </div></td>
<td bgcolor="#F6BD9B"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="82"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="149"><table cellspacing="0" cellpadding="0">
<td width="119">-138.2157</td>
</table></td>
</table></td>
</table>
</div></td>
<td bgcolor="#F6BD9B"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="217"><div align="center">-9.2</div></td>
</table>
</div></td>
</tr>
<tr>
<th bgcolor="#F6BD9B" scope="row"> </th>
<td bgcolor="#E0C9BA"> </td>
<td bgcolor="#E0C9BA"> </td>
<td bgcolor="#E0C9BA"> </td>
<td bgcolor="#E0C9BA"> </td>
</tr>
</table>
<p> </p>
<table width="637" border="1" align="center" style="color: #000000; font-style: normal; font-size: 18px; font-family: Baskerville, 'Palatino Linotype', Palatino, 'Century Schoolbook L', 'Times New Roman', serif;">
<tbody>
<tr>
<th colspan="5" bgcolor="#E0C9BA" scope="col"><strong>Table I3: Ab Initio PBE0/def2SVP Chemical & Docking Results for the Interaction of Lopinavir with Covid-19 6M0J </strong></th>
</tr>
<tr>
<th width="1" bgcolor="#E0C9BA" scope="col"> </th>
<th width="181" bgcolor="#E0C9BA" scope="col">Compound</th>
<th width="122" bgcolor="#E0C9BA" scope="col">HOMO-LUMO energy gap (a.u.)</th>
<th width="129" bgcolor="#E0C9BA" scope="col">Docking iGemDock</th>
<th width="205" bgcolor="#E0C9BA" scope="col">Docking
AutoDock - Vina
(kcal/mol)</th>
</tr>
<tr>
<th bgcolor="#F6BD9B" scope="row"> </th>
<td bgcolor="#F6BD9B"><div align="center">lopinavir</div></td>
<td bgcolor="#F6BD9B"><div align="center"> </div></td>
<td bgcolor="#F6BD9B"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="82"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="149"><table cellspacing="0" cellpadding="0">
<td width="119">-144.6062</td>
</table></td>
</table></td>
</table>
</div></td>
<td bgcolor="#F6BD9B"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="217"><div align="center">-9.5</div></td>
</table>
</div></td>
</tr>
<tr>
<th bgcolor="#F6BD9B" scope="row"> </th>
<td bgcolor="#E0C9BA"> </td>
<td bgcolor="#E0C9BA"> </td>
<td bgcolor="#E0C9BA"> </td>
<td bgcolor="#E0C9BA"> </td>
</tr>
</table>
<td bgcolor="#E0C9BA"><div align="center"></div></td>
<tr>
<td bgcolor="#E0C9BA"> </td>
</tr>
<div>
<p> As it can be seen from Table I.1 the lowest <strong>HOMO-LUMO gaps</strong> at the <strong>PM3 level </strong>are observed for <strong>chloroquine</strong>, <strong>hydroxychloroquine</strong> and <strong>remdesivir</strong>. These molecules are the most reactive. However, the docking results for these three drugs show that remdesivir has the <strong>lowest binding energy</strong> and therefore the <strong>highest binding affinity </strong>for the receptor. </p>
<p>Amongst the drugs listed in Table I.1 the <strong>highest binding affinity</strong> for the protease of Covid-19 5R82 is shown by<strong> lopinavir </strong> (-9.0 kcal/mol), <strong>darunavir</strong> (-8.4 kcal/mol) and <strong>remdesivir</strong> (-8.0 kcal/mol) respectively according to Autodock Vina. Lopinavir appears to have the <strong>highest binding affinity</strong> for the receptor 6M0J.</p>
<p><strong>Lopinavir</strong> also appears to have the highest affinity according to iGemDock (-130.843) while remdesivir is second (-129.661).</p>
<p>The ground state optimization of Lopinavir was also obtained using two <strong>ab initio methods</strong> STO3G/def2SVP and PBE0/def2SVP. The corresponding molecular structures obtained were tested with <strong>molecular docking</strong> to study their binding affinity with the receptor 6M0J (Table I.2 & I.3). As was expected even better binding affinities were observed. The most accurate must be considered the PBE0/def2SVP optimized and docked structure.</p>
<p id="05a9" data-selectable-paragraph="">It is worth stressing that binding is not synonymous with inhibition. Even the most well bound molecule may have little effect on a protein if it targets the wrong site. One limitation of the work is the choice of binding site all the above drugs were tested against. This was constrained by the ligand used to stabilize the protein crystal structure. </p>
<p> </p>
</div>
<hr>
<p> </p>
<p class="posts"><strong><u>Relevant Posts - Relevant Videos</u></strong></p>
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<p class="posts"><a href="https://chem-net.blogspot.com/2020/05/drug-repurposing-for-covid-19-in-silico-screening.html" title=">Drug Repurposing for coronavirus (COVID-19): in silico screening of known drugs against SARS-CoV-2 Spike protein ">Drug Repurposing for COVID-19: in silico screening of known drugs against SARS-CoV-2 Spike protein </a></p>
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<p class="posts"><a href="https://link.springer.com/article/10.1007/s11030-022-10469-7#citeas" title=">In Silico Drug Repurposing for coronavirus (COVID-19): Screening known HCV drugs against the SARS-CoV-2 Spike protein ACE2 ">In Silico Drug Repurposing for coronavirus (COVID-19): Screening known HCV drugsagainst the SARS-CoV-2 Spike protein ACE2. Molecular Diversity (2022) </a></p>
<p class="posts"><a href="https://chemrxiv.org/articles/preprint/Drug_Repurposing_for_Coronavirus_COVID-19_In_Silico_Screening_of_Known_Drugs_Against_the_SARS-CoV-2_Spike_Protein_Bound_to_Angiotensin_Converting_Enzyme_2_ACE2_6M0J_/12857678/2" title=">In Silico Drug Repurposing for coronavirus (COVID-19): Screening known HCV drugsagainst the SARS-CoV-2 Spike protein ACE2 ">In Silico Drug Repurposing for coronavirus (COVID-19): Screening known HCV drugsagainst the SARS-CoV-2 Spike protein ACE2. ChemRxiv. Preprint. </a></p>
<p class="posts"> </p>
<hr>
<p class="posts"><strong><u>References</u></strong></p>
<div>
<ol>
<li>M. A. Thompson, “Molecular docking using ArgusLab, an efficient shape-based search algorithm and AScore scoring function,” in <em>Proceedings of the ACS Meeting</em>, Philadelphia, Pa, USA, March-April 2004, 172, CINF 42. </li>
<li>O. Trott, A. J. Olson, "AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading", Journal of Computational Chemistry 31 (2010) 455-461</li>
<li>K. Hsu, Y. Chen, S. Lin,. <em>et al.</em> "iGEMDOCK: a graphical environment of enhancing GEMDOCK using pharmacological interactions and post-screening analysis" <em>BMC Bioinformatics</em> <strong>12, </strong>S33 (2011). </li>
<li>J. Lan, J. Ge, J. Yu, <em>et al.</em> "Structure of the SARS-CoV-2 spike receptor-binding domain bound to the ACE2 receptor" <em>Nature</em> (2020). https://doi.org/10.1038/s41586-020-2180-5</li>
<li> K. Kalamatianos <em>et al.</em> " Drug Repurposing for Coronavirus (COVID-19): In Silico Screening of Known Drugs Against the SARS-CoV-2 Spike Protein Bound to Angiotensin Converting Enzyme 2 (ACE2) (6M0J). ChemRxiv. Preprint. " <em> ChemRxiv. Preprint.</em> (2020). https://doi.org/10.1038/s41586-020-2180-5</li>
<li> K. Kalamatianos <em>et al.</em> " In silico drug repurposing for coronavirus (COVID-19): screening known HCV drugs against the SARS-CoV-2 spike protein bound to angiotensin-converting enzyme 2 (ACE2)(6M0J)" <em>Mol Divers (2022)</em> https://link.springer.com/article/10.1007s11030-022-10469-7</li>
<li>F. Neese, “The ORCA program system” Wiley Interdisciplinary Reviews: Computational Molecular Science, 2012, Vol. 2, Issue 1, Pages 73–78.
</li>
</ol>
<ol>
</ol>
</div>
<hr>
<p> </p>
<p class="posts"><strong><u>Key Terms</u></strong></p>
<p><strong><u>covid-19</u></strong>,<strong><u>HOMO </u></strong>, <strong><u>LUMO</u></strong>,<strong><u>ground state optimization</u></strong>, <strong><u> medication for covid-19, drugs for covid-19, molecular docking, ab initio methods, computational chemistry, binding energy, binding affinity</u></strong>,</p>
<p> </p>
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</html>K.G.K. (Quality Editions)http://www.blogger.com/profile/18164345508953392426noreply@blogger.com0tag:blogger.com,1999:blog-69387733388315341.post-42677011609658714102020-05-06T23:55:00.002+03:002021-01-06T15:26:03.280+02:00Drug Repurposing for coronavirus (COVID-19): in silico screening of known drugs against SARS-CoV-2 Spike protein<!doctype html>
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<div class="breadcrumbs"><a href="https://chem-net.blogspot.com/">Home</a> > <a href="https://chem-net.blogspot.com/p/theoretical-chemistry.html"> Physical & Theoretical Chemistry</a> > <a href="https://chem-net.blogspot.com/2020/05/computational-chemistry.html"> Computational Chemistry</a> > Drug Repurposing for coronavirus (COVID-19): in silico screening of known drugs against <strong>SARS-CoV-2 Spike protein</strong> </div>
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<meta itemprop='articleBody' content="In a previous post entitled "A search to Medications to treat Covid-19 via Computational Chemistry methods and Molecular Docking" already approved drugs that have some efficacy against similar type of viruses were tested with Covid-19 5R82 protease (receptor) using computational chemistry methods and molecular docking. These drugs listed in Table I.1 of the above post were as follows: darunavir, remdesivir, chloroquine, hydroxychloroquine, colchicine, favipavir, oceltamivir.
Amongst all the above drugs the highest binding affinity for the protease of Covid-19 5R82 is shown by darunavir (-7.7 kcal/mol) according to Autodock Vina (the second highest affinity is shown by colchicine -6.4 and the third by remdesivir -6.3 kcal/mol) . Darunavir shows the second highest affinity according to iGemDock (-141.5402) while remdesivir scores a bit higher (-144.26573).
It should be mentioned that computational chemistry methods and molecular docking results of drug efficacies not to be taken as medical advice or evidence supporting a specific treatment.
The same procedure is followed in this post to test the binding affinity of these drugs for the SARS-CoV-2 Spike protein bound to angiotensin converting enzyme 2 (ACE2) (6M0J: Receptor binding domain, RBD). It is known that the virus enter the host cell by binding of the viral spike glycoprotein to the host receptor, angiotensin converting enzyme 2 (ACE2).
The steps required for drug screening are as follows:
Find the 3D molecular structures of Covid-19 from the Protein Data Bank
. The crystallized SARS-CoV-2 spike receptor-binding domain bound with ACE2 (6M0J) was selected. It is shown in Fig. I.1 below:
Find the molecular structures of drugs (ligands) with efficacy against similar viruses.
Hundrends of drugs can be found. A great deal of open access data are available on the Internet. Some of them are: remdesivir, chloroquine, colchicine, darunavir, favipavir, oceltamivir. The 3D and 2D structures of remdesivir is shown in Fig. I.2 below:
Find the ground state optimization of these drugs (ligands).
The ground state optimization of a compound is the molecular geometry with the lowest energy (the most stable molecular geometry). There are several computational chemistry softwares that use semiempirical and ab initio methods to obtain the ground state geometry of a compound. Some of them are: Gamess, Gaussian, Orca, Avogadro, Firefly, Arguslab. The Arguslab software was used and the PM3 method was selected. This method is semiempirical and fast but not as accurate as the high level ab intio methods. PM3, or Parametric Method 3, is based on the Neglect of Differential Diatomic Overlap integral approximation. The ground state optimized structure of favipavir using the PM3 method is shown in Fig. I.3:
Calculate the HOMO - LUMO gap (energy difference gap between the HOMO and LUMO molecular orbitals) at the ground state molecular geometry of the drug (ligand) (from the above step).
The energy gap between the HOMO (highest occupied molecular orbital) and the LUMO (lowest unoccupied molecular orbital) is an important quantum chemical parameter that characterizes the chemical reactivity of a molecule. A molecule with a small energy gap is more reactive compared to a molecule with a large HOMO - LUMO gap. The HOMO - LUMO gap energy of each drug was calculated and is shown in Table I.1
The interaction of the above mentioned drugs (ligands) with SARS-CoV-2 spike receptor-binding domain bound with ACE2 (6M0J) (receptor) were determined using Molecular Docking.
The interaction of drugs with Covid-19 SARS-CoV-2 spike receptor-binding domain bound with ACE2 (6M0J) (receptor) were determined using two softwares Autodock Vina and iGemDock. During the docking process, the receptor and the ligand are rotated around their own coordinate origin and the separation between the two origins is varied. A score is calculated for each orientation and the lower binding energy obtained corresponds to the best interaction between the receptor and the ligand (highest binding affinity).
The results obtained are shown in Table I.1 below:
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<h1>Drug Repurposing for coronavirus (COVID-19): in silico screening of known drugs against <strong>SARS-CoV-2 Spike protein</strong></h1>
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<p>In a previous post entitled "<a href="https://chem-net.blogspot.com/2020/04/search-to-medications-to-treat-covid-19-computational-chemistry-docking.html" title=" A search to Medications to treat Covid-19 via Computational Chemistry methods and Molecular "><strong>A search to Medications to treat Covid-19 via Computational Chemistry methods and Molecular Docking</strong></a>" already <strong>approved drugs</strong> that have some efficacy against similar type of viruses were tested with <strong>Covid-19 5R82 protease</strong> (receptor)<strong> </strong>using <strong>computational chemistry methods</strong> and <strong>molecular docking</strong>. These drugs listed in Table I.1 of the above post were as follows: <strong>darunavir</strong>, <strong>remdesivir</strong>, <strong>chloroquine</strong>, <strong>hydroxychloroquine</strong>, <strong>colchicine</strong>, <strong>favipavir</strong>, <strong>oceltamivir</strong>.</p>
<p>Amongst all the above drugs the <strong>highest binding affinity</strong> for the protease of Covid-19 5R82 is shown by<strong> darunavir</strong> (-7.7 kcal/mol) according to Autodock Vina (the second highest affinity is shown by <strong>colchicine</strong> -6.4 and the third by <strong>remdesivir</strong> -6.3 kcal/mol) . Darunavir shows the second highest affinity according to iGemDock (-141.5402) while remdesivir scores a bit higher (-144.26573).</p>
<p><em> <strong>It should be mentioned that computational chemistry methods and molecular docking results of drug efficacies not to be taken as medical advice or evidence supporting a specific treatment.</strong></em></p>
<p>The same procedure is followed in this post to test the binding affinity of these drugs for the <strong>SARS-CoV-2 Spike protein bound to angiotensin converting enzyme 2 (ACE2)</strong> (<strong>6M0J</strong>: Receptor binding domain, RBD). It is known that the virus enter the host cell by binding of the viral spike glycoprotein to the host receptor, angiotensin converting enzyme 2 (ACE2).</p>
<p>The steps required for drug screening are as follows:</p>
</div>
<div></div>
<ul>
<div>
<li>Find the <strong>3D molecular structure</strong> of <strong>Covid-19</strong> from the Protein Data Bank PDB</li>
.
<p>The crystallized S<span id="structureTitle">ARS-CoV-2 spike receptor-binding domain bound with ACE2</span><strong> </strong>(6M0J) was selected. It is shown in Fig. I.1 below:</p>
<div>
<p class="formula"><img src="https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEgT8Ou7lsdPgw6yvTUXubmbDOTl-94M_yGvoeZM13XhYWnZLay2HVamWOypUwuIIMSTqE-WWk-LyvRHP1z_nwIcz7jXXagWxYBdQv-Ee_SADV6jg7NXXzdeqxCjXjI_-cYBBAiE5sud7EY/s640/6m0j.jpg" alt="Fig. I.1: SARS-CoV-2 spike receptor-binding domain bound with ACE2 (6M0J)" width="551" height="328" title="Fig. I.1: SARS-CoV-2 spike receptor-binding domain bound with ACE2 (6M0J)"/></span></p>
</div>
<li>Find the molecular structures of <strong>drugs</strong> (<strong>ligands</strong>) with <strong>efficacy against similar viruse</strong>s. </li>
<p> Hundrends of
drugs can be found. A great deal of open access data are available on the Internet. Some of them are: <strong>remdesivir</strong>, <strong>chloroquine</strong>, <strong>colchicine</strong>, <strong>darunavir</strong>, <strong>favipavir</strong>, <strong>oceltamivir</strong>.
The 3D and 2D structures of remdesivir is shown in Fig. I.2 below:<div>
<p class="formula"><a href="https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEioTdVKQ9gCIqFSr6ORtXDksQqeEiXYhN8D3bvr8ClYfvVeGHGeT2YScxj8fqHQgxgHDldLKiVVXbcjP0c5UqZQDFWtZ0TFQc9ZOW19TjaGQn2Zk0Ktv9IJoAfYAHHRH9GMg1pj3a70D_c/s640/remdesivir1.jpg"><img src="https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEioTdVKQ9gCIqFSr6ORtXDksQqeEiXYhN8D3bvr8ClYfvVeGHGeT2YScxj8fqHQgxgHDldLKiVVXbcjP0c5UqZQDFWtZ0TFQc9ZOW19TjaGQn2Zk0Ktv9IJoAfYAHHRH9GMg1pj3a70D_c/s640/remdesivir1.jpg" alt="Fig. I.2: remdesivir molecular structure (2d and 3d)" width="640" height="338" title="Fig. I.2: remdesivir 3d and 2d molecular structure"></a>
</div>
<li>Find the ground state optimization of these drugs (ligands). </li>
<p>The <strong>ground state optimization</strong> of a compound
is the <strong>molecular geometry</strong> with the <strong>lowest energy</strong> (<strong>the most stable molecular geometry</strong>). There are several <strong>computational chemistry softwares</strong> that use <strong>semiempirica</strong>l and <strong>ab initio methods</strong> to obtain the ground state geometry of a compound. Some of them are: Gamess, Gaussian, Orca, Avogadro, Firefly, Arguslab. The Arguslab software was used and the PM3 method was selected. This method is semiempirical and fast but not as accurate as the high level ab intio methods. <strong>PM3</strong>, or <strong>Parametric Method 3</strong>, is based on the Neglect of Differential Diatomic Overlap integral approximation.
The ground state optimized structure of favipavir using the PM3 method is shown in Fig. I.3:<div>
<p class="formula"><a href="https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEiKCDHh4RfznU8lrG20nK64RfMlSmT5Mq4WiXt6A3MLlN2ykde4gTkJI7uHbh7m517RNro27z5XuypP3bm1R58htrnTBPFcOJy8bhS0-3CClZtY6-0r2QxK-3Alqr5gSBaSqLNN6yWpZkM/s640/favipavir.jpg"><img src="https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEiKCDHh4RfznU8lrG20nK64RfMlSmT5Mq4WiXt6A3MLlN2ykde4gTkJI7uHbh7m517RNro27z5XuypP3bm1R58htrnTBPFcOJy8bhS0-3CClZtY6-0r2QxK-3Alqr5gSBaSqLNN6yWpZkM/s640/favipavir.jpg" alt="Fig. I.3: favipavir ground state PM3 optimized structure" width="640" height="256" title="Fig. I.3: favipavir ground state PM3 optimized structure "></a> </p>
</div>
<li>Calculate the <strong>HOMO - LUMO gap</strong> (<strong>energy difference gap between the HOMO and LUMO molecular orbitals</strong>) at the ground state molecular geometry of the drug (ligand) (from the above step).</li>
<p>The energy
gap between the <strong>HOMO</strong> (highest occupied molecular orbital) and the <strong>LUMO</strong> (lowest unoccupied molecular orbital) is an important <strong>quantum chemical parameter</strong> that characterizes the <strong>chemical reactivity of a molecule</strong>. A molecule with a small energy gap is more reactive compared to a molecule with a large HOMO - LUMO gap. The
HOMO - LUMO gap
energy of each drug was calculated and is shown in Table I.1</p>
<li>The interaction of the above mentioned <strong>drugs (ligands)</strong> with <strong>S<span id="structureTitle2">ARS-CoV-2 spike receptor-binding domain bound with ACE2</span><strong> </strong>(6M0J)</strong> (<strong>receptor</strong>) were determined using <strong>Molecular Docking.</strong></li>
<p> The <strong>interaction of drugs</strong> with <strong>Covid-19 S<span id="structureTitle3">ARS-CoV-2 spike receptor-binding domain bound with ACE2</span><strong> </strong>(6M0J)</strong> (<strong>receptor</strong>)
were determined using two softwares Autodock Vina and iGemDock. During the docking process, the receptor and the ligand are rotated around their own coordinate origin and the separation between the two origins is varied. A score is calculated for each orientation and the<strong> lower binding energy</strong> obtained corresponds to the best interaction between the receptor and the ligand (<strong>highest binding affinity</strong>). </p>
</div>
</ul>
</p>
<div>
<p> The results obtained are shown in Table I.1 below: </p>
</div>
<div class="separator" style="clear: both; text-align: center;"></div>
<div></div>
<table width="637" border="1" align="center" style="color: #000000; font-style: normal; font-size: 18px; font-family: Baskerville, 'Palatino Linotype', Palatino, 'Century Schoolbook L', 'Times New Roman', serif;">
<tbody>
<tr>
<th colspan="5" bgcolor="#E0C9BA" scope="col"><strong>Table I1: Quantum Chemical & Docking Results for the Interaction of selected Drugs with Covid-19 6M0J </strong></th>
</tr>
<tr>
<th width="1" bgcolor="#E0C9BA" scope="col"> </th>
<th width="181" bgcolor="#E0C9BA" scope="col">Compound</th>
<th width="122" bgcolor="#E0C9BA" scope="col">HOMO-LUMO energy gap (a.u.)</th>
<th width="129" bgcolor="#E0C9BA" scope="col">Docking iGemDock</th>
<th width="205" bgcolor="#E0C9BA" scope="col">Docking
AutoDock - Vina
(kcal/mol)</th>
</tr>
<tr>
<th bgcolor="#F6BD9B" scope="row"> </th>
<td bgcolor="#F6BD9B"><div align="center">remdesivir</div></td>
<td bgcolor="#F6BD9B"><div align="center">0.299555</div></td>
<td bgcolor="#F6BD9B"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="82"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="149">-129.6619</td>
</table></td>
</table>
</div></td>
<td bgcolor="#F6BD9B"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="217"><div align="center">-8.0
</div></td>
</table>
</div></td>
</tr>
<tr>
<th bgcolor="#F6BD9B" scope="row"> </th>
<td bgcolor="#E0C9BA"><div align="center">chloroquine</div></td>
<td bgcolor="#E0C9BA"><div align="center">0.292904</div></td>
<td bgcolor="#E0C9BA"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="82"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="149">-77.8347</td>
</table>
</div></td>
</table>
</div></td>
<td bgcolor="#E0C9BA"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="217"><div align="center">-6.7
</div></td>
</table>
</div></td>
</tr>
<tr>
<th bgcolor="#F6BD9B" scope="row"> </th>
<td bgcolor="#F6BD9B"><div align="center">hydroxychloroquine</div></td>
<td bgcolor="#F6BD9B"><div align="center">0.292930</div></td>
<td bgcolor="#F6BD9B"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="82"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="149">-82.8867</td>
</table>
</div></td>
</table>
</div></td>
<td bgcolor="#F6BD9B"><div align="center">-6.1
</div></td>
</tr>
<tr>
<th bgcolor="#F6BD9B" scope="row"> </th>
<td bgcolor="#E0C9BA"><div align="center">colchicine</div></td>
<td bgcolor="#E0C9BA"><div align="center">0.305204</div></td>
<td bgcolor="#E0C9BA"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="82"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="149">-85.0525</td>
</table>
</div></td>
</table>
</div></td>
<td bgcolor="#E0C9BA"><div align="center">-7.3
</div></td>
</tr>
<tr>
<th bgcolor="#F6BD9B" scope="row"> </th>
<td bgcolor="#F6BD9B"><div align="center">darunavir</div></td>
<td bgcolor="#F6BD9B"><div align="center">0.315079</div></td>
<td bgcolor="#F6BD9B"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="76"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="149">-117.0429</td>
</table>
</div></td>
</table>
</div></td>
<td bgcolor="#F6BD9B"><div align="center">-8.4
</div></td>
</tr>
<tr>
<th bgcolor="#F6BD9B" scope="row"> </th>
<td bgcolor="#E0C9BA"><div align="center">favipavir</div></td>
<td bgcolor="#E0C9BA"><div align="center">0.328258</div></td>
<td bgcolor="#E0C9BA"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="82"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="149">-65.3097</td>
</table>
</div></td>
</table>
</div></td>
<td bgcolor="#E0C9BA"><div align="center">-6.0
</div></td>
</tr>
<tr>
<th bgcolor="#F6BD9B" scope="row"> </th>
<td bgcolor="#F6BD9B"><div align="center">oceltamivir</div></td>
<td bgcolor="#F6BD9B"><div align="center">0.343420</div></td>
<td bgcolor="#F6BD9B"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="82"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="149">-83.5736</td>
</table>
</div></td>
</table>
</div></td>
<td bgcolor="#F6BD9B"><div align="center">-6.0
</div></td>
</tr>
</table>
</td>
<td bgcolor="#E0C9BA"><div align="center"></div></td>
<tr>
<td bgcolor="#E0C9BA"> </td>
</tr>
<table width="663" border="1" align="center" style="color: #000000; font-style: normal; font-size: 18px; font-family: Baskerville, 'Palatino Linotype', Palatino, 'Century Schoolbook L', 'Times New Roman', serif;">
</table>
<div>
<p> As it can be seen from Table I.1 the lowest <strong>HOMO-LUMO gaps</strong> at the <strong>PM3 level </strong>are observed for <strong>chloroquine</strong>, <strong>hydroxychloroquine</strong> and <strong>remdesivir</strong>. These molecules are the most reactive. However, the docking results for these three drugs show that remdesivir has the <strong>lowest binding energy</strong> and therefore the <strong>highest binding affinity </strong>for the receptor. </p>
<p>Amongst all the drugs listed in Table I.1 the <strong>highest binding affinity</strong> for the protease of Covid-19 5R82 is shown by<strong> darunavir</strong> (-8.4 kcal/mol) according to Autodock Vina (the second highest affinity is shown by <strong>remdesivir</strong> -8.0 and the third by <strong>chloroquine</strong> -6.7 kcal/mol) . Darunavir shows the second highest affinity according to iGemDock (-117.0429) while remdesivir scores higher (-129.661).</p>
<p id="05a9" data-selectable-paragraph="">It is worth stressing that binding is not synonymous with inhibition. Even the most well bound molecule may have little effect on a protein if it targets the wrong site. One limitation of the work is the choice of binding site all the above drugs were tested against. This was constrained by the ligand used to stabilize the protein crystal structure, RZS. If DMS was used as the ligand instead of RZS, the drugs would have been tested against different sites and different results may have found. </p>
<p><strong>For relevant posts see the links below.</strong></p>
<p> </p>
</div>
<hr>
<p> </p>
<p class="posts"><strong><u>Relevant Posts - Relevant Videos</u></strong></p>
<p class="posts"><a href="https://chem-net.blogspot.com/2020/04/search-to-medications-to-treat-covid-19-computational-chemistry-docking.html" title=">A search to Medications to treat Covid-19 via Computational Chemistry methods and Molecular Docking">A search to Medications to treat Covid-19 via Comp. Chem. methods and Molecular Docking </a></p>
<p class="posts"><a href="https://chem-net.blogspot.com/2020/05/repurposing-existing-drugs-for-covid-19-in-silico.html" title=">Repurposing existing drugs for coronavirus 2019-nCoV (covid-19): in silico trial">Repurposing existing drugs for coronavirus 2019-nCoV (covid-19): in silico trial</a></p>
<p class="posts"><a href="https://chemrxiv.org/articles/preprint/Drug_Repurposing_for_Coronavirus_COVID-19_In_Silico_Screening_of_Known_Drugs_Against_the_SARS-CoV-2_Spike_Protein_Bound_to_Angiotensin_Converting_Enzyme_2_ACE2_6M0J_/12857678/1" title=">Drug Repurposing for coronavirus (COVID-19): in silico screening of known drugs against SARS-CoV-2 Spike protein ">Drug Repurposing for Coronavirus (COVID-19): In Silico Screening of Known Drugs Against the SARS-CoV-2 Spike Protein Bound to Angiotensin Converting Enzyme 2 (ACE2) (6M0J). ChemRxiv. Preprint. </a></p>
<p class="posts"><a href="https://chemrxiv.org/articles/preprint/Drug_Repurposing_for_Coronavirus_COVID-19_In_Silico_Screening_of_Known_Drugs_Against_the_SARS-CoV-2_Spike_Protein_Bound_to_Angiotensin_Converting_Enzyme_2_ACE2_6M0J_/12857678/2" title=">In Silico Drug Repurposing for coronavirus (COVID-19): Screening known HCV drugsagainst the SARS-CoV-2 Spike protein ACE2 ">In Silico Drug Repurposing for coronavirus (COVID-19): Screening known HCV drugsagainst the SARS-CoV-2 Spike protein ACE2. ChemRxiv. Preprint. </a></p>
<p class="posts"> </p>
<hr>
<p class="posts"><strong><u>References</u></strong></p>
<div>
<ol>
<li>M. A. Thompson, “Molecular docking using ArgusLab, an efficient shape-based search algorithm and AScore scoring function,” in <em>Proceedings of the ACS Meeting</em>, Philadelphia, Pa, USA, March-April 2004, 172, CINF 42. </li>
<li>O. Trott, A. J. Olson, "AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading", Journal of Computational Chemistry 31 (2010) 455-461</li>
<li>K. Hsu, Y. Chen, S. Lin,. <em>et al.</em> "iGEMDOCK: a graphical environment of enhancing GEMDOCK using pharmacological interactions and post-screening analysis" <em>BMC Bioinformatics</em> <strong>12, </strong>S33 (2011). </li>
<li>J. Lan, J. Ge, J. Yu, <em>et al.</em> "Structure of the SARS-CoV-2 spike receptor-binding domain bound to the ACE2 receptor" <em>Nature</em> (2020). https://doi.org/10.1038/s41586-020-2180-5</li>
</ol>
<ol>
</ol>
</div>
<hr>
<p> </p>
<p class="posts"><strong><u>Key Terms</u></strong></p>
<p><strong><u>covid-19</u></strong>,<strong><u>HOMO </u></strong>, <strong><u>LUMO</u></strong>,<strong><u>ground state optimization</u></strong>, <strong><u> medication for covid-19, drugs for covid-19, molecular docking, ab initio methods, computational chemistry, binding energy, binding affinity</u></strong>,</p>
<p> </p>
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semiempirical use approximations from empirical (experimental) data to provide the input into the mathematical models.
molecular mechanics uses classical physics and empirical or semi-empirical (pre-determined) force fields to explain and interpret the behavior of atoms and molecules.
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COMPUTATIONAL CHEMISTRY
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<td><div style="font-weight: bolder; background-color: #F7FD00;"><a href="https://chem-net.blogspot.com/2020/04/search-to-medications-to-treat-covid-19-computational-chemistry-docking.html">A search to Medications to treat Covid-19 via Computational Chemistry methods and Molecular Docking </a></div></td>
<td>
<div style="font-weight: bolder; background-color: #F7FD00;"><a href="https://chem-net.blogspot.com/2020/05/drug-repurposing-for-covid-19-in-silico-screening.html"> Drug Repurposing for coronavirus (COVID-19): in silico screening of known drugs against SARS-CoV-2 Spike protein</a> </div></td>
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<td><div style="font-weight: bolder; background-color: #F7FD00;"><a href="https://chem-net.blogspot.com/2020/05/repurposing-existing-drugs-for-covid-19-in-silico.html">Repurposing existing drugs for coronavirus 2019-nCoV (covid-19): in silico trial </a></div></td>
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<p> </p>
<div style="font-weight: bolder; background-color: #F7FD00;"><a href="https://chem-net.blogspot.com/2015/04/food-chemistry-preservatives-sulfites-and-so2.html">F3ds</a></div>
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<p style="font-weight: bolder; background-color: #F7FD00;"> </p></td>
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<p style="font-weight: bolder; background-color: #F7FD00;"> </p></td>
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<div>
<p><strong>Computational chemistry</strong> is rapidly emerging as a subfield of <strong>theoretical chemistry</strong>, where the primary focus is on solving <strong>chemically related problems</strong> by calculations. </p>
<p>The term <strong>computational chemistry</strong> is usually used when a mathematical method is sufficiently well developed that it can be automated for implementation on a computer. <strong>Computational chemistry</strong> is the application of <strong>chemical</strong>, <strong>mathematical</strong> and <strong>computing skills</strong> to the solution of interesting chemical problems. It uses computers to generate information such as properties of molecules or simulated experimental results. </p>
<p>The quantum and classical mechanics as well as statistical physics and thermodynamics are the foundation for most of the computational chemistry theory and computer programs. This is because they model the atoms and molecules with mathematics. Using computational chemistry software the following can be performed: </p>
<ul>
<div>
<li><strong>electronic structure determinations </strong></li>
<li><strong>geometry optimizations</strong></li>
<li><strong>frequency calculations</strong></li>
<li><strong>definition of transition structures and reaction paths </strong></li>
<li><strong>docking in protein calculations</strong></li>
<li><strong>charge and electron distributions calculations </strong></li>
<li><strong>calculations of potential energy surfaces (PES)</strong></li>
<li><strong>calculations of rate constants for chemical reactions (kinetics) thermodynamic calculations- heat of reactions, energy of activation</strong></li>
<li><strong>calculation of many other molecular and physical and chemical properties. </strong></li>
</div>
</ul>
<p><strong>Computational chemistry</strong> is therefore one of the most fascinating branches of theoretical chemistry that is useful in resolving many chemical problems. It comprises of a wide variety of techniques and methods developed over the last century such as:</p>
<p><strong><u>ab-initio</u></strong> (Latin for "from the beginning") a group of methods in which molecular structures can be calculated using nothing but the <strong>Schrödinger equation</strong>, the values of the <strong><a href="https://chem-net.blogspot.com/2016/12/fundamental-physical-constants.html" title="fundamental physical constants"> fundamental constants</a></strong> and the <strong><a href="https://chem-net.blogspot.com/2020/04/periodic-table-of-elements-list-form.html" title="atomic numbers of the atoms">atomic numbers of the atoms</a></strong> present. </p>
<p><strong><u>semiempirical</u></strong> use approximations from <strong>empirical (experimental) data</strong> to provide the <strong>input</strong> into the <strong>mathematical model</strong>s. </p>
<p><strong><u>molecular mechanics</u></strong> uses <strong>classical physics</strong> and <strong>empirical</strong> or <strong>semi-empirical</strong> (pre-determined) <strong>force fields</strong> to explain and interpret the behavior of atoms and molecules.</p>
<p><strong>Computational chemistry</strong> has become a useful way to investigate materials that are too difficult to find or too expensive to purchase. It also helps chemists make predictions before running the actual experiments so that they can be better prepared for making observations.</p>
</div>
<p> </p>
<p><span class="formula1">"I would like to emphasize my belief that the era of computing chemists, when hundreds if not thousands of chemists will go to the computing machine instead of the laboratory, for increasingly many facets of chemical information, is already at hand. There is only one obstacle, namely, that someone must pay for the computing time. " [Robert S. Mulliken (1896-1986), at the end of his Nobel address in 1966]</span></p>
<p> </p>
<hr>
<p class="titles"><strong><u>References</u></strong></p>
<div>
<ol>
<li>F. Jensen. “Introduction to Computational Chemistry”, 2nd Edition, Jon Wiley and Sons Ltd., 2007</li>
<li>S. M. P. Bachrach "Computational Organic Chemistry", Jon Wiley and Sons Ltd., 2007</li>
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<div class="breadcrumbs"><a href="https://chem-net.blogspot.com/">Home</a> > <a href="https://chem-net.blogspot.com/p/theoretical-chemistry.html"> Physical & Theoretical Chemistry</a> > <a href="https://chem-net.blogspot.com/2020/05/computational-chemistry.html"> Computational Chemistry</a> > Medications to treat Covid-19 via Computational Chemistry methods and Molecular Docking </div>
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<meta itemprop='articleBody' content="In December 2019 the first cases of infection from a novel coronavirus (Covid-19) were reported. Since then Covid-19 is spreading at an alarming rate and has created an unprecedented health emergency around the globe. The virus has infected more than 3,000,000 people and 217,000 have died.
There is no effective vaccine and it will most likely take at least 1-1.5 year to develop one. Therefore the development of antiviral agents is an urgent priority even though it usually takes many years for new drugs to be discoverd, clinically tested and approved. A good strategy would be trying to find already approved drugs that have some efficacy against similar type of viruses. Then test the efficacy of these drugs using computational chemistry methods and molecular docking. The most effective of these drugs can then be clinically tested and approved. There is a great deal of open access data available on the Internet.
It should be mentioned that computational chemistry methods and molecular docking results of drug efficacies not to be taken as medical advice or evidence supporting a specific treatment.
The steps required for drug screening are as follows:
Find the 3D molecular structures of Covid-19 from the Protein Data Bank
. The crystallized main protease of Covid-19 5R82 can be selected. It is shown in Fig. I.1 below:
Find the molecular structures of drugs (ligands) with efficacy against similar viruses.
Hundrends of drugs can be found. A great deal of open access data are available on the Internet. Some of them are: remdesivir, chloroquine, colchicine, darunavir, favipavir, oceltamivir, niclosamide. The 3D and 2D structures of remdesivir is shown in Fig. I.2 below:
Calculate the HOMO - LUMO gap (energy difference gap between the HOMO and LUMO molecular orbitals) at the ground state molecular geometry of the drug (ligand) (from the above step).
The energy gap between the HOMO (highest occupied molecular orbital) and the LUMO (lowest unoccupied molecular orbital) is an important quantum chemical parameter that characterizes the chemical reactivity of a molecule. A molecule with a small energy gap is more reactive compared to a molecule with a large HOMO - LUMO gap. The HOMO - LUMO gap energy of each drug was calculated and is shown in Table I.1
The interaction of the above mentioned drugs (ligands) with Covid-19 5R82 protease (receptor) were determined using Molecular Docking.
The interaction of drugs with Covid-19 5R82 protease (receptor) were determined using two softwares Autodock Vina and iGemDock. During the docking process, the receptor and the ligand are rotated around their own coordinate origin and the separation between the two origins is varied. A score is calculated for each orientation and the lower binding energy obtained corresponds to the best interaction between the receptor and the ligand (highest binding affinity). As it can be seen from Table I.1 the lowest HOMO-LUMO gaps at the PM3 level are observed for chloroquine, hydroxychloroquine and remdesivir. These molecules are the most reactive. However, the docking results for these three drugs show that remdesivir has the lowest binding energy and therefore the highest binding affinity for the receptor.
Amongst all the drugs listed in Table I.1 the highest binding affinity for the protease of Covid-19 5R82 is shown by darunavir (-7.7 kcal/mol) according to Autodock Vina (the second highest affinity is shown by colchicine -6.4 and the third by remdesivir -6.3 kcal/mol) . Darunavir shows the second highest affinity according to iGemDock (-141.5402) while remdesivir scores a bit higher (-144.26573).
It is worth stressing that binding is not synonymous with inhibition. Even the most well bound molecule may have little effect on a protein if it targets the wrong site. One limitation of the work is the choice of binding site all the above drugs were tested against. This was constrained by the ligand used to stabilize the protein crystal structure, RZS. If DMS was used as the ligand instead of RZS, the drugs would have been tested against different sites and different results may have found.
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<h1>A search to Medications to treat Covid-19 via Computational Chemistry methods and Molecular Docking</h1>
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<p>In December 2019 the first cases of infection from a novel <strong>coronavirus</strong> (<strong>Covid-19</strong>) were reported. Since then <strong>Covid-19</strong> is spreading at an alarming rate and has created an unprecedented health emergency around the globe. The virus has infected more than 3,000,000 people and 217,000 have died. </p>
<p>There is no effective vaccine and it will most likely take at least 1-1.5 year to develop one. Therefore the development of <strong>antiviral agents</strong> is an urgent priority even though it usually takes many years for new drugs to be discoverd, clinically tested and approved. A good strategy would be trying to find already <strong>approved drugs</strong> that have some efficacy against similar type of viruses. Then test the <strong>efficacy of these drugs</strong> using <strong>computational chemistry methods</strong> and <strong>molecular docking</strong>. The most effective of these drugs can then be clinically tested and approved. There is a great deal of open access data available on the Internet.</p>
<p><em> <strong>It should be mentioned that computational chemistry methods and molecular docking results of drug efficacies not to be taken as medical advice or evidence supporting a specific treatment.</strong></em></p>
<p>The steps required for drug screening are as follows:</p>
</div>
<div></div>
<ul>
<div>
<li>Find the <strong>3D molecular structure</strong> of <strong>Covid-19</strong> from the >Protein Data Bank PDB.</li>
<p>The crystallized main protease of <strong>Covid-19</strong> (5R82) can be selected. It is shown in Fig. I.1 below:</p>
<div>
<p class="formula"><img src="https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEhQxOaTK1pLYjI1US6G0mMIu6hvTp-TD07niv-neQxWvW8-a4MPlGO5EDTokAVCnJRtBeX2pMFueCu8r9h-vurT9crQleKm2At23MmF12JQEo456SEtzUUXPnyzIHtbR-CFD_K68PHwkGA/s400/5r82a.jpg" alt="Fig. I.1: Crystal Structure of COVID-19 main protease (5r82) in complex with Z219104216" width="551" height="328" title="Fig. I.1: Crystal Structure of COVID-19 main protease (5r82) in complex with Z219104216"/></span></p>
</div>
<li>Find the molecular structures of <strong>drugs</strong> (<strong>ligands</strong>) with <strong>efficacy against similar viruse</strong>s. </li>
<p> Hundrends of
drugs can be found. A great deal of open access data are available on the Internet. Some of them are: <strong>remdesivir</strong>, <strong>chloroquine</strong>, <strong>colchicine</strong>, <strong>darunavir</strong>, <strong>favipavir</strong>, <strong>oceltamivir</strong>, <strong>niclosamide</strong>.
The 3D and 2D structures of remdesivir is shown in Fig. I.2 below:<div>
<p class="formula"><a href="https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEioTdVKQ9gCIqFSr6ORtXDksQqeEiXYhN8D3bvr8ClYfvVeGHGeT2YScxj8fqHQgxgHDldLKiVVXbcjP0c5UqZQDFWtZ0TFQc9ZOW19TjaGQn2Zk0Ktv9IJoAfYAHHRH9GMg1pj3a70D_c/s640/remdesivir1.jpg"><img src="https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEioTdVKQ9gCIqFSr6ORtXDksQqeEiXYhN8D3bvr8ClYfvVeGHGeT2YScxj8fqHQgxgHDldLKiVVXbcjP0c5UqZQDFWtZ0TFQc9ZOW19TjaGQn2Zk0Ktv9IJoAfYAHHRH9GMg1pj3a70D_c/s640/remdesivir1.jpg" alt="Fig. I.2: remdesivir molecular structure (2d and 3d)" width="640" height="338" title="Fig. I.2: remdesivir 3d and 2d molecular structure"></a>
</div>
<li>Find the ground state optimization of these drugs (ligands). </li>
<p>The <strong>ground state optimization</strong> of a compound
is the <strong>molecular geometry</strong> with the <strong>lowest energy</strong> (<strong>the most stable molecular geometry</strong>). There are several <strong>computational chemistry softwares</strong> that use <strong>semiempirica</strong>l and <strong>ab initio methods</strong> to obtain the ground state geometry of a compound. Some of them are: Gamess, Gaussian, Orca, Avogadro, Firefly, Arguslab. The Arguslab software was used and the PM3 method was selected. This method is semiempirical and fast but not as accurate as the high level ab intio methods. <strong>PM3</strong>, or <strong>Parametric Method 3</strong>, is based on the Neglect of Differential Diatomic Overlap integral approximation.
The ground state optimized structure of favipavir using the PM3 method is shown in Fig. I.3:<div>
<p class="formula"><a href="https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEiKCDHh4RfznU8lrG20nK64RfMlSmT5Mq4WiXt6A3MLlN2ykde4gTkJI7uHbh7m517RNro27z5XuypP3bm1R58htrnTBPFcOJy8bhS0-3CClZtY6-0r2QxK-3Alqr5gSBaSqLNN6yWpZkM/s640/favipavir.jpg"><img src="https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEiKCDHh4RfznU8lrG20nK64RfMlSmT5Mq4WiXt6A3MLlN2ykde4gTkJI7uHbh7m517RNro27z5XuypP3bm1R58htrnTBPFcOJy8bhS0-3CClZtY6-0r2QxK-3Alqr5gSBaSqLNN6yWpZkM/s640/favipavir.jpg" alt="Fig. I.3: favipavir ground state PM3 optimized structure" width="640" height="256" title="Fig. I.3: favipavir ground state PM3 optimized structure "></a> </p>
</div>
<li>Calculate the <strong>HOMO - LUMO gap</strong> (<strong>energy difference gap between the HOMO and LUMO molecular orbitals</strong>) at the ground state molecular geometry of the drug (ligand) (from the above step).</li>
<p>The energy
gap between the <strong>HOMO</strong> (highest occupied molecular orbital) and the <strong>LUMO</strong> (lowest unoccupied molecular orbital) is an important <strong>quantum chemical parameter</strong> that characterizes the <strong>chemical reactivity of a molecule</strong>. A molecule with a small energy gap is more reactive compared to a molecule with a large HOMO - LUMO gap. The
HOMO - LUMO gap
energy of each drug was calculated and is shown in Table I.1</p>
<li>The interaction of the above mentioned <strong>drugs (ligands)</strong> with <strong>Covid-19 5R82 protease</strong> (<strong>receptor</strong>) were determined using <strong>Molecular Docking.</strong></li>
<p> The <strong>interaction of drugs</strong> with <strong>Covid-19 5R82 protease</strong> (receptor)
were determined using two softwares Autodock Vina and iGemDock. During the docking process, the receptor and the ligand are rotated around their own coordinate origin and the separation between the two origins is varied. A score is calculated for each orientation and the<strong> lower binding energy</strong> obtained corresponds to the best interaction between the receptor and the ligand (<strong>highest binding affinity</strong>). </p>
</div>
</ul>
</p>
<div>
<p> The results obtained are shown in Table I.1 below: </p>
</div>
<div class="separator" style="clear: both; text-align: center;"></div>
<div></div>
<table width="637" border="1" align="center" style="color: #000000; font-style: normal; font-size: 18px; font-family: Baskerville, 'Palatino Linotype', Palatino, 'Century Schoolbook L', 'Times New Roman', serif;">
<tbody>
<tr>
<th colspan="5" bgcolor="#E0C9BA" scope="col"><strong>Table I1: Quantum Chemical & Docking Results for the Interaction of selected Drugs with Covid-19 5R82 protease</strong></th>
</tr>
<tr>
<th width="1" bgcolor="#E0C9BA" scope="col"> </th>
<th width="181" bgcolor="#E0C9BA" scope="col">Compound</th>
<th width="122" bgcolor="#E0C9BA" scope="col">HOMO-LUMO energy gap (a.u.)</th>
<th width="129" bgcolor="#E0C9BA" scope="col">Docking iGemDock</th>
<th width="205" bgcolor="#E0C9BA" scope="col">Docking
AutoDock - Vina
(kcal/mol)</th>
</tr>
<tr>
<th bgcolor="#F6BD9B" scope="row"> </th>
<td bgcolor="#F6BD9B"><div align="center">remdesivir</div></td>
<td bgcolor="#F6BD9B"><div align="center">0.299555</div></td>
<td bgcolor="#F6BD9B"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="82"><div align="center">-144.2657</td>
</table>
</div></td>
<td bgcolor="#F6BD9B"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="217"><div align="center">-6.3</div></td>
</table>
</div></td>
</tr>
<tr>
<th bgcolor="#F6BD9B" scope="row"> </th>
<td bgcolor="#E0C9BA"><div align="center">chloroquine</div></td>
<td bgcolor="#E0C9BA"><div align="center">0.292904</div></td>
<td bgcolor="#E0C9BA"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="82"><div align="center">-80.9850</div></td>
</table>
</div></td>
<td bgcolor="#E0C9BA"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="217"><div align="center">-6.1</div></td>
</table>
</div></td>
</tr>
<tr>
<th bgcolor="#F6BD9B" scope="row"> </th>
<td bgcolor="#F6BD9B"><div align="center">hydroxychloroquine</div></td>
<td bgcolor="#F6BD9B"><div align="center">0.292930</div></td>
<td bgcolor="#F6BD9B"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="82"><div align="center">-93.6502</div></td>
</table>
</div></td>
<td bgcolor="#F6BD9B"><div align="center">-5.9</div></td>
</tr>
<tr>
<th bgcolor="#F6BD9B" scope="row"> </th>
<td bgcolor="#E0C9BA"><div align="center">colchicine</div></td>
<td bgcolor="#E0C9BA"><div align="center">0.305204</div></td>
<td bgcolor="#E0C9BA"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="82"><div align="center">-91.1003</div></td>
</table>
</div></td>
<td bgcolor="#E0C9BA"><div align="center">-6.4</div></td>
</tr>
<tr>
<th bgcolor="#F6BD9B" scope="row"> </th>
<td bgcolor="#F6BD9B"><div align="center">darunavir</div></td>
<td bgcolor="#F6BD9B"><div align="center">0.315079</div></td>
<td bgcolor="#F6BD9B"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="76"><div align="center">-141.5402</div></td>
</table>
</div></td>
<td bgcolor="#F6BD9B"><div align="center">-7.7</div></td>
</tr>
<tr>
<th bgcolor="#F6BD9B" scope="row"> </th>
<td bgcolor="#E0C9BA"><div align="center">favipavir</div></td>
<td bgcolor="#E0C9BA"><div align="center">0.328258</div></td>
<td bgcolor="#E0C9BA"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="82"><div align="center">-70.4370</div></td>
</table>
</div></td>
<td bgcolor="#E0C9BA"><div align="center">-5.8</div></td>
</tr>
<tr>
<th bgcolor="#F6BD9B" scope="row"> </th>
<td bgcolor="#F6BD9B"><div align="center">oceltamivir</div></td>
<td bgcolor="#F6BD9B"><div align="center">0.343420</div></td>
<td bgcolor="#F6BD9B"><div align="center">
<table cellspacing="0" cellpadding="0">
<td width="82"><div align="center">-94.2380</div></td>
</table>
</div></td>
<td bgcolor="#F6BD9B"><div align="center">-5.7</div></td>
</tr>
</table>
</td>
<td bgcolor="#E0C9BA"><div align="center"></div></td>
<tr>
<td bgcolor="#E0C9BA"> </td>
</tr>
<table width="663" border="1" align="center" style="color: #000000; font-style: normal; font-size: 18px; font-family: Baskerville, 'Palatino Linotype', Palatino, 'Century Schoolbook L', 'Times New Roman', serif;">
</table>
<div>
<p> As it can be seen from Table I.1 the lowest <strong>HOMO-LUMO gaps</strong> at the <strong>PM3 level </strong>are observed for <strong>chloroquine</strong>, <strong>hydroxychloroquine</strong> and <strong>remdesivir</strong>. These molecules are the most reactive. However, the docking results for these three drugs show that remdesivir has the <strong>lowest binding energy</strong> and therefore the <strong>highest binding affinity </strong>for the receptor. </p>
<p>Amongst all the drugs listed in Table I.1 the <strong>highest binding affinity</strong> for the protease of Covid-19 5R82 is shown by<strong> darunavir</strong> (-7.7 kcal/mol) according to Autodock Vina (the second highest affinity is shown by <strong>colchicine</strong> -6.4 and the third by <strong>remdesivir</strong> -6.3 kcal/mol) . Darunavir shows the second highest affinity according to iGemDock (-141.5402) while remdesivir scores a bit higher (-144.26573).</p>
<p id="05a9" data-selectable-paragraph="">It is worth stressing that binding is not synonymous with inhibition. Even the most well bound molecule may have little effect on a protein if it targets the wrong site. One limitation of the work is the choice of binding site all the above drugs were tested against. This was constrained by the ligand used to stabilize the protein crystal structure, RZS. If DMS was used as the ligand instead of RZS, the drugs would have been tested against different sites and different results may have found.</p>
<p>For a similar post using a <strong>SARS-CoV-2</strong> <strong>spike protein</strong> as a <strong>receptor</strong> see the link below.</p>
<p> </p>
</div>
<hr>
<p> </p>
<p class="posts"><strong><u>Relevant Posts - Relevant Videos</u></strong></p>
<p class="posts"><a href="https://chem-net.blogspot.com/2020/05/drug-repurposing-for-covid-19-in-silico-screening.html" title=">Drug Repurposing for coronavirus (COVID-19): in silico screening of known drugs against SARS-CoV-2 Spike protein ">Drug Repurposing for coronavirus (COVID-19): in silico screening of known drugs against SARS-CoV-2 Spike protein</a></p>
<p class="posts"><a href="https://chemrxiv.org/articles/preprint/Drug_Repurposing_for_Coronavirus_COVID-19_In_Silico_Screening_of_Known_Drugs_Against_the_SARS-CoV-2_Spike_Protein_Bound_to_Angiotensin_Converting_Enzyme_2_ACE2_6M0J_/12857678/1" title=">Drug Repurposing for coronavirus (COVID-19): in silico screening of known drugs against SARS-CoV-2 Spike protein ">Drug Repurposing for Coronavirus (COVID-19): In Silico Screening of Known Drugs Against the SARS-CoV-2 Spike Protein Bound to Angiotensin Converting Enzyme 2 (ACE2) (6M0J). ChemRxiv. Preprint. </a></p>
<p class="posts"><a href="https://chemrxiv.org/articles/preprint/Drug_Repurposing_for_Coronavirus_COVID-19_In_Silico_Screening_of_Known_Drugs_Against_the_SARS-CoV-2_Spike_Protein_Bound_to_Angiotensin_Converting_Enzyme_2_ACE2_6M0J_/12857678/2" title=">In Silico Drug Repurposing for coronavirus (COVID-19): Screening known HCV drugsagainst the SARS-CoV-2 Spike protein ACE2 ">In Silico Drug Repurposing for coronavirus (COVID-19): Screening known HCV drugs against the SARS-CoV-2 Spike protein ACE2. ChemRxiv. Preprint. </a></p>
<p class="posts"> </p>
<hr>
<p class="posts"><strong><u>References</u></strong></p>
<div>
<ol>
<li>M. A. Thompson, “Molecular docking using ArgusLab, an efficient shape-based search algorithm and AScore scoring function,” in <em>Proceedings of the ACS Meeting</em>, Philadelphia, Pa, USA, March-April 2004, 172, CINF 42. </li>
<li>O. Trott, A. J. Olson, "AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading", Journal of Computational Chemistry 31 (2010) 455-461</li>
<li>Hsu, K., Chen, Y., Lin, S. <em>et al.</em> iGEMDOCK: a graphical environment of enhancing GEMDOCK using pharmacological interactions and post-screening analysis. <em>BMC Bioinformatics</em> <strong>12, </strong>S33 (2011). </li>
</ol>
<ol>
</ol>
</div>
<hr>
<p> </p>
<p class="posts"><strong><u>Key Terms</u></strong></p>
<p><strong><u>covid-19</u></strong>,<strong><u>HOMO </u></strong>, <strong><u>LUMO</u></strong>,<strong><u>ground state optimization</u></strong>, <strong><u> medication for covid-19, drugs for covid-19, molecular docking, ab initio methods, computational chemistry, binding energy, binding affinity</u></strong>,</p>
<p> </p>
</body>
</html>K.G.K. (Quality Editions)http://www.blogger.com/profile/18164345508953392426noreply@blogger.com2tag:blogger.com,1999:blog-69387733388315341.post-52145147862480560232020-04-23T19:47:00.000+03:002020-04-23T19:47:33.378+03:00Periodic Table of the Elements - List of the Elements in order by Atomic Number
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<meta name="keywords" content=periodic table, elements of the periodic table, history of the elements of the periodic table, list of the elements of periodic table with electron configuration, electron configuration of the elements, periodic table of elements with names and symbols, periodic table of elements with names and symbols and atomic mass and atomic number, 118 elements and their symbols, first 20 elements of the periodic table with atomic number and mass, 118 elements with symbols and valencies, 118 elements and their symbols and atomic number, periodic table of the elements list, periodic table of elements list in order, periodic table of elements list 1-118, periodic table of elements list with atomic mass, periodic table of elements list 2019, periodic table of elements list in order by atomic number, periodic table of elements list and their uses, periodic table of elements list according to atomic number, periodic table of elements list atomic mass, periodic table of elements list and definition, periodic table of elements list and meanings, periodic table of elements list and symbol, periodic table of elements list by atomic number, periodic table of elements list by group, periodic table of elements list by number, periodic table of elements list by symbol, periodic table of elements books list, periodic table of elements list with electron configuration, periodic table of elements list names, periodic table of elements nonmetals list, periodic table of elements list name and symbol, periodic table of elements list with valency, periodic table of elements list with names, periodic table of elements list with atomic number, periodic table elements list a-z, periodic table list of elements and symbols in order, Actinium Ac, Aluminum Al, Americium Am, Antimony Sb, Argon Ar, Arsenic As, Astatine At, Barium Ba, Berkelium Bk, Beryllium Be, Bismuth Bi, Bohrium Bh, Boron B, Bromine Br, Cadmium Cd, Calcium Ca, Californium Cf, Carbon C, Cerium Ce, Cesium Cs, Chlorine Cl, Chromium Cr, Cobalt Co, Copper Cu, Curium Cm, Darmstadtium Ds, Dubnium Db, Dysprosium Dy, Einsteinium Es, Erbium Er, Europium Eu,
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Helium He, Holmium Ho, Hydrogen H, Indium In, Iodine I, Iridium Ir, Iron Fe, Krypton Kr, Lanthanum La, Lawrencium Lr,
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Promethium Pm, Protactinium Pa, Radium Ra, Radon Rn, Rhenium Re, Rhodium Rh, Roentgenium Rg, Rubidium Rb,
Ruthenium Ru, Rutherfordium Rf, Samarium Sm, Scandium Sc, Seaborgium Sg, Selenium Se, Silicon Si, Silver Ag,
Sodium Na, Strontium Sr, Sulfur S, Tantalum Ta, Technetium Tc, Tellurium Te, Terbium Tb, Thallium Tl, Thorium Th,
Thulium Tm, Tin Sn, Titanium Ti, Tungsten W, Ununbium Uub, Ununhexium Uuh, Ununpentium Uup, Ununquadium Uuq,
Ununseptium Uus, Ununtrium Uut, Uranium U, Vanadium V, Xenon Xe, Ytterbium Yb, Yttrium Y, Zinc Zn, Zirconium Zr,">
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<h1>Periodic Table of the Elements - List of the Elements and their History</h1>
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<div>
<p>Click an <strong>Element Name </strong> in the table in order to read its <strong>history</strong>. </p></div>
<p> </p>
<table width="675" class="center" id="table_1">
<tbody>
<tr class="ctr">
<th width="81"><div align="center">Element Number</div></th>
<th width="137">Element Name</th>
<th width="70"><div align="center">Symbol</div></th>
<th width="72"><div align="center">Atomic Weight</div></th>
<th width="50"><div align="center">M.P. (°C) </div></th>
<th width="47"><div align="center">B.P.<br>
(°C)</a></div></th>
<th width="172"><div align="center">Electron<br>
configuration</div></th>
</tr>
<tr class="per">
<td><div align="center">1</div></td>
<td class="lft"><div align="center"><a href="https://chem-net.blogspot.com/2020/04/history-of-hydrogen-atom-H.html" title="Hydrogen">Hydrogen</a></div></td>
<td class="lft"><div align="center">H</div></td>
<td><div align="center">1.008</div></td>
<td><div align="center">-259</div></td>
<td><div align="center">-253</div></td>
<td class="lft"><div align="center">1s<sup>1</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">2</div></td>
<td class="lft"><div align="center">Helium</div></td>
<td class="lft"><div align="center">He</div></td>
<td><div align="center">4.003</div></td>
<td><div align="center">-272</div></td>
<td><div align="center">-269</div></td>
<td class="lft"><div align="center">1s<sup>2</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">3</div></td>
<td class="lft"><div align="center">Lithium</div></td>
<td class="lft"><div align="center">Li</div></td>
<td><div align="center">6.941</div></td>
<td><div align="center">180</div></td>
<td><div align="center">1,347</div></td>
<td class="lft"><div align="center">[He] 2s<sup>1</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">4</div></td>
<td class="lft"><div align="center">Beryllium</div></td>
<td class="lft"><div align="center">Be</div></td>
<td><div align="center">9.012</div></td>
<td><div align="center">1,278</div></td>
<td><div align="center">2,970</div></td>
<td class="lft"><div align="center">[He] 2s<sup>2</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">5</div></td>
<td class="lft"><div align="center">Boron</div></td>
<td class="lft"><div align="center">B</div></td>
<td><div align="center">10.811</div></td>
<td><div align="center">2,300</div></td>
<td><div align="center">2,550</div></td>
<td class="lft"><div align="center">[He] 2s<sup>2</sup> 2p<sup>1</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">6</div></td>
<td class="lft"><div align="center">Carbon</div></td>
<td class="lft"><div align="center">C</div></td>
<td><div align="center">12.011</div></td>
<td><div align="center">3,500</div></td>
<td><div align="center">4,827</div></td>
<td class="lft"><div align="center">[He] 2s<sup>2</sup> 2p<sup>2</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">7</div></td>
<td class="lft"><div align="center">Nitrogen</div></td>
<td class="lft"><div align="center">N</div></td>
<td><div align="center">14.007</div></td>
<td><div align="center">-210</div></td>
<td><div align="center">-196</div></td>
<td class="lft"><div align="center">[He] 2s<sup>2</sup> 2p<sup>3</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">8</div></td>
<td class="lft"><div align="center">Oxygen</div></td>
<td class="lft"><div align="center">O</div></td>
<td><div align="center">15.999</div></td>
<td><div align="center">-218</div></td>
<td><div align="center">-183</div></td>
<td class="lft"><div align="center">[He] 2s<sup>2</sup> 2p<sup>4</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">9</div></td>
<td class="lft"><div align="center">Fluorine</div></td>
<td class="lft"><div align="center">F</div></td>
<td><div align="center">18.998</div></td>
<td><div align="center">-220</div></td>
<td><div align="center">-188</div></td>
<td class="lft"><div align="center">[He] 2s<sup>2</sup> 2p<sup>5</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">10</div></td>
<td class="lft"><div align="center">Neon</div></td>
<td class="lft"><div align="center">Ne</div></td>
<td><div align="center">20.180</div></td>
<td><div align="center">-249</div></td>
<td><div align="center">-246</div></td>
<td class="lft"><div align="center">[He] 2s<sup>2</sup> 2p<sup>6</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">11</div></td>
<td class="lft"><div align="center">Sodium</div></td>
<td class="lft"><div align="center">Na</div></td>
<td><div align="center">22.990</div></td>
<td><div align="center">98</div></td>
<td><div align="center">883</div></td>
<td class="lft"><div align="center">[Ne] 3s<sup>1</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">12</div></td>
<td class="lft"><div align="center">Magnesium</div></td>
<td class="lft"><div align="center">Mg</div></td>
<td><div align="center">24.305</div></td>
<td><div align="center">639</div></td>
<td><div align="center">1,090</div></td>
<td class="lft"><div align="center">[Ne] 3s<sup>2</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">13</div></td>
<td class="lft"><div align="center">Aluminum</div></td>
<td class="lft"><div align="center">Al</div></td>
<td><div align="center">26.982</div></td>
<td><div align="center">660</div></td>
<td><div align="center">2,467</div></td>
<td class="lft"><div align="center">[Ne] 3s<sup>2</sup> 3p<sup>1</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">14</div></td>
<td class="lft"><div align="center">Silicon</div></td>
<td class="lft"><div align="center">Si</div></td>
<td><div align="center">28.086</div></td>
<td><div align="center">1,410</div></td>
<td><div align="center">2,355</div></td>
<td class="lft"><div align="center">[Ne] 3s<sup>2</sup> 3p<sup>2</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">15</div></td>
<td class="lft"><div align="center">Phosphorus</div></td>
<td class="lft"><div align="center">P</div></td>
<td><div align="center">30.974</div></td>
<td><div align="center">44</div></td>
<td><div align="center">280</div></td>
<td class="lft"><div align="center">[Ne] 3s<sup>2</sup> 3p<sup>3</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">16</div></td>
<td class="lft"><div align="center">Sulfur</div></td>
<td class="lft"><div align="center">S</div></td>
<td><div align="center">32.065</div></td>
<td><div align="center">113</div></td>
<td><div align="center">445</div></td>
<td class="lft"><div align="center">[Ne] 3s<sup>2</sup> 3p<sup>4</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">17</div></td>
<td class="lft"><div align="center">Chlorine</div></td>
<td class="lft"><div align="center">Cl</div></td>
<td><div align="center">35.453</div></td>
<td><div align="center">-101</div></td>
<td><div align="center">-35</div></td>
<td class="lft"><div align="center">[Ne] 3s<sup>2</sup> 3p<sup>5</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">18</div></td>
<td class="lft"><div align="center">Argon</div></td>
<td class="lft"><div align="center">Ar</div></td>
<td><div align="center">39.948</div></td>
<td><div align="center">-189</div></td>
<td><div align="center">-186</div></td>
<td class="lft"><div align="center">[Ne] 3s<sup>2</sup> 3p<sup>6</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">19</div></td>
<td class="lft"><div align="center">Potassium</div></td>
<td class="lft"><div align="center">K</div></td>
<td><div align="center">39.098</div></td>
<td><div align="center">64</div></td>
<td><div align="center">774</div></td>
<td class="lft"><div align="center">[Ar] 4s<sup>1</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">20</div></td>
<td class="lft"><div align="center">Calcium</div></td>
<td class="lft"><div align="center">Ca</div></td>
<td><div align="center">40.078</div></td>
<td><div align="center">839</div></td>
<td><div align="center">1,484</div></td>
<td class="lft"><div align="center">[Ar] 4s<sup>2</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">21</div></td>
<td class="lft"><div align="center">Scandium</div></td>
<td class="lft"><div align="center">Sc</div></td>
<td><div align="center">44.956</div></td>
<td><div align="center">1,539</div></td>
<td><div align="center">2,832</div></td>
<td class="lft"><div align="center">[Ar] 3d<sup>1</sup> 4s<sup>2</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">22</div></td>
<td class="lft"><div align="center">Titanium</div></td>
<td class="lft"><div align="center">Ti</div></td>
<td><div align="center">47.867</div></td>
<td><div align="center">1,660</div></td>
<td><div align="center">3,287</div></td>
<td class="lft"><div align="center">[Ar] 3d<sup>2</sup> 4s<sup>2</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">23</div></td>
<td class="lft"><div align="center">Vanadium</div></td>
<td class="lft"><div align="center">V</div></td>
<td><div align="center">50.942</div></td>
<td><div align="center">1,890</div></td>
<td><div align="center">3,380</div></td>
<td class="lft"><div align="center">[Ar] 3d<sup>3</sup> 4s<sup>2</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">24</div></td>
<td class="lft"><div align="center">Chromium</div></td>
<td class="lft"><div align="center">Cr</div></td>
<td><div align="center">51.996</div></td>
<td><div align="center">1,857</div></td>
<td><div align="center">2,672</div></td>
<td class="lft"><div align="center">[Ar] 3d<sup>5</sup> 4s<sup>1</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">25</div></td>
<td class="lft"><div align="center">Manganese</div></td>
<td class="lft"><div align="center">Mn</div></td>
<td><div align="center">54.938</div></td>
<td><div align="center">1,245</div></td>
<td><div align="center">1,962</div></td>
<td class="lft"><div align="center">[Ar] 3d<sup>5</sup> 4s<sup>2</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">26</div></td>
<td class="lft"><div align="center">Iron</div></td>
<td class="lft"><div align="center">Fe</div></td>
<td><div align="center">55.845</div></td>
<td><div align="center">1,535</div></td>
<td><div align="center">2,750</div></td>
<td class="lft"><div align="center">[Ar] 3d<sup>6</sup> 4s<sup>2</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">27</div></td>
<td class="lft"><div align="center">Cobalt</div></td>
<td class="lft"><div align="center">Co</div></td>
<td><div align="center">58.933</div></td>
<td><div align="center">1,495</div></td>
<td><div align="center">2,870</div></td>
<td class="lft"><div align="center">[Ar] 3d<sup>7</sup> 4s<sup>2</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">28</div></td>
<td class="lft"><div align="center">Nickel</div></td>
<td class="lft"><div align="center">Ni</div></td>
<td><div align="center">58.693</div></td>
<td><div align="center">1,453</div></td>
<td><div align="center">2,732</div></td>
<td class="lft"><div align="center">[Ar] 3d<sup>8</sup> 4s<sup>2</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">29</div></td>
<td class="lft"><div align="center">Copper</div></td>
<td class="lft"><div align="center">Cu</div></td>
<td><div align="center">63.546</div></td>
<td><div align="center">1,083</div></td>
<td><div align="center">2,567</div></td>
<td class="lft"><div align="center">[Ar] 3d<sup>10</sup> 4s<sup>1</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">30</div></td>
<td class="lft"><div align="center">Zinc</div></td>
<td class="lft"><div align="center">Zn</div></td>
<td><div align="center">65.390</div></td>
<td><div align="center">420</div></td>
<td><div align="center">907</div></td>
<td class="lft"><div align="center">[Ar] 3d<sup>10</sup> 4s<sup>2</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">31</div></td>
<td class="lft"><div align="center">Gallium</div></td>
<td class="lft"><div align="center">Ga</div></td>
<td><div align="center">69.723</div></td>
<td><div align="center">30</div></td>
<td><div align="center">2,403</div></td>
<td class="lft"><div align="center">[Ar] 3d<sup>10</sup> 4s<sup>2</sup> 4p<sup>1</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">32</div></td>
<td class="lft"><div align="center">Germanium</div></td>
<td class="lft"><div align="center">Ge</div></td>
<td><div align="center">72.640</div></td>
<td><div align="center">937</div></td>
<td><div align="center">2,830</div></td>
<td class="lft"><div align="center">[Ar] 3d<sup>10</sup> 4s<sup>2</sup> 4p<sup>2</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">33</div></td>
<td class="lft"><div align="center">Arsenic</div></td>
<td class="lft"><div align="center">As</div></td>
<td><div align="center">74.922</div></td>
<td><div align="center">81</div></td>
<td><div align="center">613</div></td>
<td class="lft"><div align="center">[Ar] 3d<sup>10</sup> 4s<sup>2</sup> 4p<sup>3</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">34</div></td>
<td class="lft"><div align="center">Selenium</div></td>
<td class="lft"><div align="center">Se</div></td>
<td><div align="center">78.960</div></td>
<td><div align="center">217</div></td>
<td><div align="center">685</div></td>
<td class="lft"><div align="center">[Ar] 3d<sup>10</sup> 4s<sup>2</sup> 4p<sup>4</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">35</div></td>
<td class="lft"><div align="center">Bromine</div></td>
<td class="lft"><div align="center">Br</div></td>
<td><div align="center">79.904</div></td>
<td><div align="center">-7</div></td>
<td><div align="center">59</div></td>
<td class="lft"><div align="center">[Ar] 3d<sup>10</sup> 4s<sup>2</sup> 4p<sup>5</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">36</div></td>
<td class="lft"><div align="center">Krypton</div></td>
<td class="lft"><div align="center">Kr</div></td>
<td><div align="center">83.800</div></td>
<td><div align="center">-157</div></td>
<td><div align="center">-153</div></td>
<td class="lft"><div align="center">[Ar] 3d<sup>10</sup> 4s<sup>2</sup> 4p<sup>6</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">37</div></td>
<td class="lft"><div align="center">Rubidium</div></td>
<td class="lft"><div align="center">Rb</div></td>
<td><div align="center">85.468</div></td>
<td><div align="center">39</div></td>
<td><div align="center">688</div></td>
<td class="lft"><div align="center">[Kr] 5s<sup>1</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">38</div></td>
<td class="lft"><div align="center">Strontium</div></td>
<td class="lft"><div align="center">Sr</div></td>
<td><div align="center">87.620</div></td>
<td><div align="center">769</div></td>
<td><div align="center">1,384</div></td>
<td class="lft"><div align="center">[Kr] 5s<sup>2</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">39</div></td>
<td class="lft"><div align="center">Yttrium</div></td>
<td class="lft"><div align="center">Y</div></td>
<td><div align="center">88.906</div></td>
<td><div align="center">1,523</div></td>
<td><div align="center">3,337</div></td>
<td class="lft"><div align="center">[Kr] 4d<sup>1</sup> 5s<sup>2</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">40</div></td>
<td class="lft"><div align="center">Zirconium</div></td>
<td class="lft"><div align="center">Zr</div></td>
<td><div align="center">91.224</div></td>
<td><div align="center">1,852</div></td>
<td><div align="center">4,377</div></td>
<td class="lft"><div align="center">[Kr] 4d<sup>2</sup> 5s<sup>2</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">41</div></td>
<td class="lft"><div align="center">Niobium</div></td>
<td class="lft"><div align="center">Nb</div></td>
<td><div align="center">92.906</div></td>
<td><div align="center">2,468</div></td>
<td><div align="center">4,927</div></td>
<td class="lft"><div align="center">[Kr] 4d<sup>4</sup> 5s<sup>1</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">42</div></td>
<td class="lft"><div align="center">Molybdenum</div></td>
<td class="lft"><div align="center">Mo</div></td>
<td><div align="center">95.940</div></td>
<td><div align="center">2,617</div></td>
<td><div align="center">4,612</div></td>
<td class="lft"><div align="center">[Kr] 4d<sup>5</sup> 5s<sup>1</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">43</div></td>
<td class="lft"><div align="center">Technetium</div></td>
<td class="lft"><div align="center">Tc</div></td>
<td><div align="center">98.000</div></td>
<td><div align="center">2,200</div></td>
<td><div align="center">4,877</div></td>
<td class="lft"><div align="center">[Kr] 4d<sup>5</sup> 5s<sup>2</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">44</div></td>
<td class="lft"><div align="center">Ruthenium</div></td>
<td class="lft"><div align="center">Ru</div></td>
<td><div align="center">101.070</div></td>
<td><div align="center">2,250</div></td>
<td><div align="center">3,900</div></td>
<td class="lft"><div align="center">[Kr] 4d<sup>7</sup> 5s<sup>1</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">45</div></td>
<td class="lft"><div align="center">Rhodium</div></td>
<td class="lft"><div align="center">Rh</div></td>
<td><div align="center">102.906</div></td>
<td><div align="center">1,966</div></td>
<td><div align="center">3,727</div></td>
<td class="lft"><div align="center">[Kr] 4d<sup>8</sup> 5s<sup>1</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">46</div></td>
<td class="lft"><div align="center">Palladium</div></td>
<td class="lft"><div align="center">Pd</div></td>
<td><div align="center">106.420</div></td>
<td><div align="center">1,552</div></td>
<td><div align="center">2,927</div></td>
<td class="lft"><div align="center">[Kr] 4d<sup>10</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">47</div></td>
<td class="lft"><div align="center">Silver</div></td>
<td class="lft"><div align="center">Ag</div></td>
<td><div align="center">107.868</div></td>
<td><div align="center">962</div></td>
<td><div align="center">2,212</div></td>
<td class="lft"><div align="center">[Kr] 4d<sup>10</sup> 5s<sup>1</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">48</div></td>
<td class="lft"><div align="center">Cadmium</div></td>
<td class="lft"><div align="center">Cd</div></td>
<td><div align="center">112.411</div></td>
<td><div align="center">321</div></td>
<td><div align="center">765</div></td>
<td class="lft"><div align="center">[Kr] 4d<sup>10</sup> 5s<sup>2</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">49</div></td>
<td class="lft"><div align="center">Indium</div></td>
<td class="lft"><div align="center">In</div></td>
<td><div align="center">114.818</div></td>
<td><div align="center">157</div></td>
<td><div align="center">2,000</div></td>
<td class="lft"><div align="center">[Kr] 4d<sup>10</sup> 5s<sup>2</sup> 5p<sup>1</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">50</div></td>
<td class="lft"><div align="center">Tin</div></td>
<td class="lft"><div align="center">Sn</div></td>
<td><div align="center">118.710</div></td>
<td><div align="center">232</div></td>
<td><div align="center">2,270</div></td>
<td class="lft"><div align="center">[Kr] 4d<sup>10</sup> 5s<sup>2</sup> 5p<sup>2</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">51</div></td>
<td class="lft"><div align="center">Antimony</div></td>
<td class="lft"><div align="center">Sb</div></td>
<td><div align="center">121.760</div></td>
<td><div align="center">630</div></td>
<td><div align="center">1,750</div></td>
<td class="lft"><div align="center">[Kr] 4d<sup>10</sup> 5s<sup>2</sup> 5p<sup>3</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">52</div></td>
<td class="lft"><div align="center">Tellurium</div></td>
<td class="lft"><div align="center">Te</div></td>
<td><div align="center">127.600</div></td>
<td><div align="center">449</div></td>
<td><div align="center">990</div></td>
<td class="lft"><div align="center">[Kr] 4d<sup>10</sup> 5s<sup>2</sup> 5p<sup>4</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">53</div></td>
<td class="lft"><div align="center">Iodine</div></td>
<td class="lft"><div align="center">I</div></td>
<td><div align="center">126.905</div></td>
<td><div align="center">114</div></td>
<td><div align="center">184</div></td>
<td class="lft"><div align="center">[Kr] 4d<sup>10</sup> 5s<sup>2</sup> 5p<sup>5</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">54</div></td>
<td class="lft"><div align="center">Xenon</div></td>
<td class="lft"><div align="center">Xe</div></td>
<td><div align="center">131.293</div></td>
<td><div align="center">-112</div></td>
<td><div align="center">-108</div></td>
<td class="lft"><div align="center">[Kr] 4d<sup>10</sup> 5s<sup>2</sup> 5p<sup>6</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">55</div></td>
<td class="lft"><div align="center">Cesium</div></td>
<td class="lft"><div align="center">Cs</div></td>
<td><div align="center">132.906</div></td>
<td><div align="center">29</div></td>
<td><div align="center">678</div></td>
<td class="lft"><div align="center">[Xe] 6s<sup>1</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">56</div></td>
<td class="lft"><div align="center">Barium</div></td>
<td class="lft"><div align="center">Ba</div></td>
<td><div align="center">137.327</div></td>
<td><div align="center">725</div></td>
<td><div align="center">1,140</div></td>
<td class="lft"><div align="center">[Xe] 6s<sup>2</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">57</div></td>
<td class="lft"><div align="center">Lanthanum</div></td>
<td class="lft"><div align="center">La</div></td>
<td><div align="center">138.906</div></td>
<td><div align="center">920</div></td>
<td><div align="center">3,469</div></td>
<td class="lft"><div align="center">[Xe] 5d<sup>1</sup> 6s<sup>2</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">58</div></td>
<td class="lft"><div align="center">Cerium</div></td>
<td class="lft"><div align="center">Ce</div></td>
<td><div align="center">140.116</div></td>
<td><div align="center">795</div></td>
<td><div align="center">3,257</div></td>
<td class="lft"><div align="center">[Xe] 4f<sup>1</sup> 5d<sup>1</sup> 6s<sup>2</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">59</div></td>
<td class="lft"><div align="center">Praseodymium</div></td>
<td class="lft"><div align="center">Pr</div></td>
<td><div align="center">140.908</div></td>
<td><div align="center">935</div></td>
<td><div align="center">3,127</div></td>
<td class="lft"><div align="center">[Xe] 4f<sup>3</sup> 6s<sup>2</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">60</div></td>
<td class="lft"><div align="center">Neodymium</div></td>
<td class="lft"><div align="center">Nd</div></td>
<td><div align="center">144.240</div></td>
<td><div align="center">1,010</div></td>
<td><div align="center">3,127</div></td>
<td class="lft"><div align="center">[Xe] 4f<sup>4</sup> 6s<sup>2</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">61</div></td>
<td class="lft"><div align="center">Promethium</div></td>
<td class="lft"><div align="center">Pm</div></td>
<td><div align="center">145.000</div></td>
<td><div align="center">1,100</div></td>
<td><div align="center">3,000</div></td>
<td class="lft"><div align="center">[Xe] 4f<sup>5</sup> 6s<sup>2</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">62</div></td>
<td class="lft"><div align="center">Samarium</div></td>
<td class="lft"><div align="center">Sm</div></td>
<td><div align="center">150.360</div></td>
<td><div align="center">1,072</div></td>
<td><div align="center">1,900</div></td>
<td class="lft"><div align="center">[Xe] 4f<sup>6</sup> 6s<sup>2</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">63</div></td>
<td class="lft"><div align="center">Europium</div></td>
<td class="lft"><div align="center">Eu</div></td>
<td><div align="center">151.964</div></td>
<td><div align="center">822</div></td>
<td><div align="center">1,597</div></td>
<td class="lft"><div align="center">[Xe] 4f<sup>7</sup> 6s<sup>2</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">64</div></td>
<td class="lft"><div align="center">Gadolinium</div></td>
<td class="lft"><div align="center">Gd</div></td>
<td><div align="center">157.250</div></td>
<td><div align="center">1,311</div></td>
<td><div align="center">3,233</div></td>
<td class="lft"><div align="center">[Xe] 4f<sup>7</sup> 5d<sup>1</sup> 6s<sup>2</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">65</div></td>
<td class="lft"><div align="center">Terbium</div></td>
<td class="lft"><div align="center">Tb</div></td>
<td><div align="center">158.925</div></td>
<td><div align="center">1,360</div></td>
<td><div align="center">3,041</div></td>
<td class="lft"><div align="center">[Xe] 4f<sup>9</sup> 6s<sup>2</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">66</div></td>
<td class="lft"><div align="center">Dysprosium</div></td>
<td class="lft"><div align="center">Dy</div></td>
<td><div align="center">162.500</div></td>
<td><div align="center">1,412</div></td>
<td><div align="center">2,562</div></td>
<td class="lft"><div align="center">[Xe] 4f<sup>10</sup> 6s<sup>2</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">67</div></td>
<td class="lft"><div align="center">Holmium</div></td>
<td class="lft"><div align="center">Ho</div></td>
<td><div align="center">164.930</div></td>
<td><div align="center">1,470</div></td>
<td><div align="center">2,720</div></td>
<td class="lft"><div align="center">[Xe] 4f<sup>11</sup> 6s<sup>2</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">68</div></td>
<td class="lft"><div align="center">Erbium</div></td>
<td class="lft"><div align="center">Er</div></td>
<td><div align="center">167.259</div></td>
<td><div align="center">1,522</div></td>
<td><div align="center">2,510</div></td>
<td class="lft"><div align="center">[Xe] 4f<sup>12</sup> 6s<sup>2</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">69</div></td>
<td class="lft"><div align="center">Thulium</div></td>
<td class="lft"><div align="center">Tm</div></td>
<td><div align="center">168.934</div></td>
<td><div align="center">1,545</div></td>
<td><div align="center">1,727</div></td>
<td class="lft"><div align="center">[Xe] 4f<sup>13</sup> 6s<sup>2</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">70</div></td>
<td class="lft"><div align="center">Ytterbium</div></td>
<td class="lft"><div align="center">Yb</div></td>
<td><div align="center">173.040</div></td>
<td><div align="center">824</div></td>
<td><div align="center">1,466</div></td>
<td class="lft"><div align="center">[Xe] 4f<sup>14</sup> 6s<sup>2</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">71</div></td>
<td class="lft"><div align="center">Lutetium</div></td>
<td class="lft"><div align="center">Lu</div></td>
<td><div align="center">174.967</div></td>
<td><div align="center">1,656</div></td>
<td><div align="center">3,315</div></td>
<td class="lft"><div align="center">[Xe] 4f<sup>14</sup> 5d<sup>1</sup> 6s<sup>2</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">72</div></td>
<td class="lft"><div align="center">Hafnium</div></td>
<td class="lft"><div align="center">Hf</div></td>
<td><div align="center">178.490</div></td>
<td><div align="center">2,150</div></td>
<td><div align="center">5,400</div></td>
<td class="lft"><div align="center">[Xe] 4f<sup>14</sup> 5d<sup>2</sup> 6s<sup>2</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">73</div></td>
<td class="lft"><div align="center">Tantalum</div></td>
<td class="lft"><div align="center">Ta</div></td>
<td><div align="center">180.948</div></td>
<td><div align="center">2,996</div></td>
<td><div align="center">5,425</div></td>
<td class="lft"><div align="center">[Xe] 4f<sup>14</sup> 5d<sup>3</sup> 6s<sup>2</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">74</div></td>
<td class="lft"><div align="center">Tungsten</div></td>
<td class="lft"><div align="center">W</div></td>
<td><div align="center">183.840</div></td>
<td><div align="center">3,410</div></td>
<td><div align="center">5,660</div></td>
<td class="lft"><div align="center">[Xe] 4f<sup>14</sup> 5d<sup>4</sup> 6s<sup>2</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">75</div></td>
<td class="lft"><div align="center">Rhenium</div></td>
<td class="lft"><div align="center">Re</div></td>
<td><div align="center">186.207</div></td>
<td><div align="center">3,180</div></td>
<td><div align="center">5,627</div></td>
<td class="lft"><div align="center">[Xe] 4f<sup>14</sup> 5d<sup>5</sup> 6s<sup>2</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">76</div></td>
<td class="lft"><div align="center">Osmium</div></td>
<td class="lft"><div align="center">Os</div></td>
<td><div align="center">190.230</div></td>
<td><div align="center">3,045</div></td>
<td><div align="center">5,027</div></td>
<td class="lft"><div align="center">[Xe] 4f<sup>14</sup> 5d<sup>6</sup> 6s<sup>2</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">77</div></td>
<td class="lft"><div align="center">Iridium</div></td>
<td class="lft"><div align="center">Ir</div></td>
<td><div align="center">192.217</div></td>
<td><div align="center">2,410</div></td>
<td><div align="center">4,527</div></td>
<td class="lft"><div align="center">[Xe] 4f<sup>14</sup> 5d<sup>7</sup> 6s<sup>2</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">78</div></td>
<td class="lft"><div align="center">Platinum</div></td>
<td class="lft"><div align="center">Pt</div></td>
<td><div align="center">195.078</div></td>
<td><div align="center">1,772</div></td>
<td><div align="center">3,827</div></td>
<td class="lft"><div align="center">[Xe] 4f<sup>14</sup> 5d<sup>9</sup> 6s<sup>1</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">79</div></td>
<td class="lft"><div align="center">Gold</div></td>
<td class="lft"><div align="center">Au</div></td>
<td><div align="center">196.967</div></td>
<td><div align="center">1,064</div></td>
<td><div align="center">2,807</div></td>
<td class="lft"><div align="center">[Xe] 4f<sup>14</sup> 5d<sup>10</sup> 6s<sup>1</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">80</div></td>
<td class="lft"><div align="center">Mercury</div></td>
<td class="lft"><div align="center">Hg</div></td>
<td><div align="center">200.590</div></td>
<td><div align="center">-39</div></td>
<td><div align="center">357</div></td>
<td class="lft"><div align="center">[Xe] 4f<sup>14</sup> 5d<sup>10</sup> 6s<sup>2</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">81</div></td>
<td class="lft"><div align="center">Thallium</div></td>
<td class="lft"><div align="center">Tl</div></td>
<td><div align="center">204.383</div></td>
<td><div align="center">303</div></td>
<td><div align="center">1,457</div></td>
<td class="lft"><div align="center">[Xe] 4f<sup>14</sup> 5d<sup>10</sup> 6s<sup>2</sup> 6p<sup>1</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">82</div></td>
<td class="lft"><div align="center">Lead</div></td>
<td class="lft"><div align="center">Pb</div></td>
<td><div align="center">207.200</div></td>
<td><div align="center">327</div></td>
<td><div align="center">1,740</div></td>
<td class="lft"><div align="center">[Xe] 4f<sup>14</sup> 5d<sup>10</sup> 6s<sup>2</sup> 6p<sup>2</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">83</div></td>
<td class="lft"><div align="center">Bismuth</div></td>
<td class="lft"><div align="center">Bi</div></td>
<td><div align="center">208.980</div></td>
<td><div align="center">271</div></td>
<td><div align="center">1,560</div></td>
<td class="lft"><div align="center">[Xe] 4f<sup>14</sup> 5d<sup>10</sup> 6s<sup>2</sup> 6p<sup>3</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">84</div></td>
<td class="lft"><div align="center">Polonium</div></td>
<td class="lft"><div align="center">Po</div></td>
<td><div align="center">209.000</div></td>
<td><div align="center">254</div></td>
<td><div align="center">962</div></td>
<td class="lft"><div align="center">[Xe] 4f<sup>14</sup> 5d<sup>10</sup> 6s<sup>2</sup> 6p<sup>4</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">85</div></td>
<td class="lft"><div align="center">Astatine</div></td>
<td class="lft"><div align="center">At</div></td>
<td><div align="center">210.000</div></td>
<td><div align="center">302</div></td>
<td><div align="center">337</div></td>
<td class="lft"><div align="center">[Xe] 4f<sup>14</sup> 5d<sup>10</sup> 6s<sup>2</sup> 6p<sup>5</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">86</div></td>
<td class="lft"><div align="center">Radon</div></td>
<td class="lft"><div align="center">Rn</div></td>
<td><div align="center">222.000</div></td>
<td><div align="center">-71</div></td>
<td><div align="center">-62</div></td>
<td class="lft"><div align="center">[Xe] 4f<sup>14</sup> 5d<sup>10</sup> 6s<sup>2</sup> 6p<sup>6</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">87</div></td>
<td class="lft"><div align="center">Francium</div></td>
<td class="lft"><div align="center">Fr</div></td>
<td><div align="center">223.000</div></td>
<td><div align="center">27</div></td>
<td><div align="center">677</div></td>
<td class="lft"><div align="center">[Rn] 7s<sup>1</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">88</div></td>
<td class="lft"><div align="center">Radium</div></td>
<td class="lft"><div align="center">Ra</div></td>
<td><div align="center">226.000</div></td>
<td><div align="center">700</div></td>
<td><div align="center">1,737</div></td>
<td class="lft"><div align="center">[Rn] 7s<sup>2</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">89</div></td>
<td class="lft"><div align="center">Actinium</div></td>
<td class="lft"><div align="center">Ac</div></td>
<td><div align="center">227.000</div></td>
<td><div align="center">1,050</div></td>
<td><div align="center">3,200</div></td>
<td class="lft"><div align="center">[Rn] 6d<sup>1</sup> 7s<sup>2</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">90</div></td>
<td class="lft"><div align="center">Thorium</div></td>
<td class="lft"><div align="center">Th</div></td>
<td><div align="center">232.038</div></td>
<td><div align="center">1,750</div></td>
<td><div align="center">4,790</div></td>
<td class="lft"><div align="center">[Rn] 6d<sup>2</sup> 7s<sup>2</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">91</div></td>
<td class="lft"><div align="center">Protactinium</div></td>
<td class="lft"><div align="center">Pa</div></td>
<td><div align="center">231.036</div></td>
<td><div align="center">1,568</div></td>
<td><div align="center">0</div></td>
<td class="lft"><div align="center">[Rn] 5f<sup>2</sup> 6d<sup>1</sup> 7s<sup>2</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">92</div></td>
<td class="lft"><div align="center">Uranium</div></td>
<td class="lft"><div align="center">U</div></td>
<td><div align="center">238.029</div></td>
<td><div align="center">1,132</div></td>
<td><div align="center">3,818</div></td>
<td class="lft"><div align="center">[Rn] 5f<sup>3</sup> 6d<sup>1</sup> 7s<sup>2</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">93</div></td>
<td class="lft"><div align="center">Neptunium</div></td>
<td class="lft"><div align="center">Np</div></td>
<td><div align="center">237.000</div></td>
<td><div align="center">640</div></td>
<td><div align="center">3,902</div></td>
<td class="lft"><div align="center">[Rn] 5f<sup>4</sup> 6d<sup>1</sup> 7s<sup>2</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">94</div></td>
<td class="lft"><div align="center">Plutonium</div></td>
<td class="lft"><div align="center">Pu</div></td>
<td><div align="center">244.000</div></td>
<td><div align="center">640</div></td>
<td><div align="center">3,235</div></td>
<td class="lft"><div align="center">[Rn] 5f<sup>6</sup> 7s<sup>2</sup></div></td>
</tr>
<tr class="per">
<td><div align="center">95</div></td>
<td class="lft"><div align="center">Americium</div></td>
<td class="lft"><div align="center">Am</div></td>
<td><div align="center">243.000</div></td>
<td><div align="center">994</div></td>
<td><div align="center">2,607</div></td>
<td class="lft"><div align="center">[Rn] 5f<sup>7</sup> 7s<sup>2</sup></div></td>
</tr>
<tr class="bkg">
<td><div align="center">96</div></td>
<td class="lft"><div align="center">Curium</div></td>
<td class="lft"><div align="center">Cm</div></td>
<td><div align="center">247.000</div></td>
<td><div align="center">1,340</div></td>
<td><div align="center">0</div></td>
<td class="lft"><div align="center"></div></td>
</tr>
<tr class="per">
<td><div align="center">97</div></td>
<td class="lft"><div align="center">Berkelium</div></td>
<td class="lft"><div align="center">Bk</div></td>
<td><div align="center">247.000</div></td>
<td><div align="center">986</div></td>
<td><div align="center">0</div></td>
<td class="lft"><div align="center"></div></td>
</tr>
<tr class="bkg">
<td><div align="center">98</div></td>
<td class="lft"><div align="center">Californium</div></td>
<td class="lft"><div align="center">Cf</div></td>
<td><div align="center">251.000</div></td>
<td><div align="center">900</div></td>
<td><div align="center">0</div></td>
<td class="lft"><div align="center"></div></td>
</tr>
<tr class="per">
<td><div align="center">99</div></td>
<td class="lft"><div align="center">Einsteinium</div></td>
<td class="lft"><div align="center">Es</div></td>
<td><div align="center">252.000</div></td>
<td><div align="center">860</div></td>
<td><div align="center">0</div></td>
<td class="lft"><div align="center"></div></td>
</tr>
<tr class="bkg">
<td><div align="center">100</div></td>
<td class="lft"><div align="center">Fermium</div></td>
<td class="lft"><div align="center">Fm</div></td>
<td><div align="center">257.000</div></td>
<td><div align="center">1,527</div></td>
<td><div align="center">0</div></td>
<td class="lft"><div align="center"></div></td>
</tr>
<tr class="per">
<td><div align="center">101</div></td>
<td class="lft"><div align="center">Mendelevium</div></td>
<td class="lft"><div align="center">Md</div></td>
<td><div align="center">258.000</div></td>
<td><div align="center">0</div></td>
<td><div align="center">0</div></td>
<td class="lft"><div align="center"></div></td>
</tr>
<tr class="bkg">
<td><div align="center">102</div></td>
<td class="lft"><div align="center">Nobelium</div></td>
<td class="lft"><div align="center">No</div></td>
<td><div align="center">259.000</div></td>
<td><div align="center">827</div></td>
<td><div align="center">0</div></td>
<td class="lft"><div align="center"></div></td>
</tr>
<tr class="per">
<td><div align="center">103</div></td>
<td class="lft"><div align="center">Lawrencium</div></td>
<td class="lft"><div align="center">Lr</div></td>
<td><div align="center">262.000</div></td>
<td><div align="center">1,627</div></td>
<td><div align="center">0</div></td>
<td class="lft"><div align="center"></div></td>
</tr>
<tr class="bkg">
<td><div align="center">104</div></td>
<td class="lft"><div align="center">Rutherfordium</div></td>
<td class="lft"><div align="center">Rf</div></td>
<td><div align="center">261.000</div></td>
<td><div align="center">0</div></td>
<td><div align="center">0</div></td>
<td class="lft"><div align="center"></div></td>
</tr>
<tr class="per">
<td><div align="center">105</div></td>
<td class="lft"><div align="center">Dubnium</div></td>
<td class="lft"><div align="center">Db</div></td>
<td><div align="center">262.000</div></td>
<td><div align="center">0</div></td>
<td><div align="center">0</div></td>
<td class="lft"><div align="center"></div></td>
</tr>
<tr class="bkg">
<td><div align="center">106</div></td>
<td class="lft"><div align="center">Seaborgium</div></td>
<td class="lft"><div align="center">Sg</div></td>
<td><div align="center">266.000</div></td>
<td><div align="center">0</div></td>
<td><div align="center">0</div></td>
<td class="lft"><div align="center"></div></td>
</tr>
<tr class="per">
<td><div align="center">107</div></td>
<td class="lft"><div align="center">Bohrium</div></td>
<td class="lft"><div align="center">Bh</div></td>
<td><div align="center">264.000</div></td>
<td><div align="center">0</div></td>
<td><div align="center">0</div></td>
<td class="lft"><div align="center"></div></td>
</tr>
<tr class="bkg">
<td><div align="center">108</div></td>
<td class="lft"><div align="center">Hassium</div></td>
<td class="lft"><div align="center">Hs</div></td>
<td><div align="center">277.000</div></td>
<td><div align="center">0</div></td>
<td><div align="center">0</div></td>
<td class="lft"><div align="center"></div></td>
</tr>
<tr class="per">
<td><div align="center">109</div></td>
<td class="lft"><div align="center">Meitnerium</div></td>
<td class="lft"><div align="center">Mt</div></td>
<td><div align="center">268.000</div></td>
<td><div align="center">0</div></td>
<td><div align="center">0</div></td>
<td class="lft"><div align="center"></div></td>
</tr>
</tbody>
</table>
<p> </p>
<div align="center"></div>
<div>
<p>Click an <strong>Element Name</strong> in the table in order to read its <strong>history</strong>. For the <strong>history of the hydrogen atom</strong> click the link below in the Relevant Posts.</p></div>
<p> </p>
<hr>
<p> </p>
<p class="posts"><strong><u>Relevant Posts</u></strong></p>
<p class="posts"><a href="https://chem-net.blogspot.com/2020/04/history-of-hydrogen-atom-H.html" title="History of the Hydrogen Atom H">History of the Hydrogen Atom H </a></p>
<p class="posts"><a href="https://chem-net.blogspot.com/2017/03/ionization-energy-periodic-table-elements.html" title="Ionization Energy Periodic Table of the Elements">Ionization Energy Periodic Table of the Elements </a></p>
<p class="posts"><a href="https://chem-net.blogspot.com/2017/04/atomic-radius-periodic-table-elements.html" title="Atomic Radius Periodic Table of the Elements">Atomic Radius Periodic Table of the Elements </a></p>
<p class="posts"><a href="https://chem-net.blogspot.com/2017/03/ionic-radius-periodic-table-elements.html" title="Ionic Radius Periodic Table of the Elements">Ionic Radius Periodic Table of the Elements </a></p>
<p class="posts"><a href="https://chem-net.blogspot.com/2017/03/electron-affinities-periodic-table-elements.html" title="Electron Affinities Periodic Table of the Elements">Electron Affinities Periodic Table of the Elements</a></p>
<p class="posts"><a href="https://chem-net.blogspot.com/2017/03/electronegativities-periodic-table-elements.html" title="Electronegativities Periodic Table of the Elements">Electronegativities Periodic Table of the Elements</a></p>
<p class="posts"> </p>
<hr>
<p> </p>
<p class="posts"><strong><u>References</u></strong></p>
<div>
<ol>
<li>P. Parsons & G. Dixon "The Periodic Table”, Quercus, 2014</li>
<li>David W. Oxtoby, H.P. Gillis, Alan Campion, “Principles of Modern Chemistry”, Sixth Edition, Thomson Brooks/Cole, 2008</li>
<li>Steven S. Zumdahl, “Chemical Principles” 6th Edition, Houghton Mifflin Company, 2009</li>
</ol>
<ol>
</ol>
</div>
<hr>
<p> </p>
<p class="posts"><strong><u>Key Terms</u></strong></p>
<p><strong><u>periodic table</u></strong>, <strong><u>list of the elements of the periodic table,</u></strong> <strong><u>electron configuration of the elements</u></strong>, <strong><u> history of the elements of the periodic table, element name</u></strong>, <strong><u>element symbol</u></strong> </p>
<hr>
</body>
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K.G.K. (Quality Editions)http://www.blogger.com/profile/18164345508953392426noreply@blogger.com0tag:blogger.com,1999:blog-69387733388315341.post-33868061204111534682020-04-21T03:45:00.001+03:002020-11-12T19:24:10.672+02:00History of the Hydrogen Atom H
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<a href="https://chem-net.blogspot.com/">Home</a> ><a href="https://chem-net.blogspot.com/2016/12/chemical-news-interesting-chem-phys-index.html" title="Chemical News & Interesting"> Chemical News & Interesting </a>> <span class="breadcrumbs1"><a href="https://chem-net.blogspot.com/2016/12/chemical-news-interesting-chem-phys-index.html" title="Chemical News & Interesting">History of the Elements </a>> Hydrogen</div>
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<meta itemprop='articleBody' content="The English chemist Henry Cavendish (1731-1810) first isolated pure hydrogen. He observed bubbles of gas rising from a reaction of iron filings in dilute sulfuric acid. He collected the gas and found it to be highly flammable and very light: qualities that made the gas seem unusual. He was also the first person to prove that when hydrogen burned it formed water. Because the element produces water when burned in air, the French chemist Lavoisier gave it the name hydrogen, which means "water producer" (from the Greek: hydro (water υδρο) and gennao (to produce γενναω).
Hydrogen is the most abundant element in the universe (88% of all atoms). It is the lightest of all the elements with 1 proton and 1 electron. It is the nuclear fuel consumed by our Sun and other stars to produce energy. At the Sun’s center, the temperature is around 15 million °C and the density is 200 kilograms per liter. In such conditions, hydrogen participates in a nuclear process and form helium nuclei, emitting huge amounts of energy.
At standard temperature and pressure (STP), hydrogen is a colorless and odorless gas that exists in the diatomic form H2 (“diatomic” meaning that it consists of two atoms). In this form, hydrogen easily combines with oxygen, to forms water that fills the seas, rivers, lakes and clouds. Combined with carbon, it helps to bond the cells of living beings. Hydrogen is also an important part of petroleum, startch, fats, cellulose, alcohols, acids. In Figure I.1 below hydrogen is evolved (bubbles) when Zn metal reacts with hydrochloric acid.
Hydrogen is a commercially important substance. Today, around 70 million tons of hydrogen are produced yearly and large quantities go into fertilizer production. Nitrogen and hydrogen are used as part of the Haber–Bosch process, which uses natural gas and air to create ammonia—an important raw material in fertilizer production.
Hydrogen is also used to manufacture methanol, CH3OH, via the catalytic reaction of CO and H2 at high pressure and temperature.
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<h1>What is the History of the Hydrogen Atom?</h1>
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<td width="250" style="width: 150px ;background-color:#F6BD9B;">Atomic Number: 1</td>
<td width="250" style="width: 150px ; background-color:#F6BD9B;">Category: Non - Metals</td>
</tr>
<tr>
<th height="49">Atomic Weight : 1.00794</th>
<th>Melting Point: -259 °C</th>
</tr>
<tr>
<td>Phase: Gas</td>
<td>Boiling Point: - 253 °C</td>
</tr>
<tr>
<th>Color: Colorless</th>
<th>Isolated: Henry Cavendish (1766)</th>
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<p> </p>
<div> <p>The English chemist Henry Cavendish (1731-1810) first isolated pure<strong> hydrogen</strong>. He observed bubbles of gas rising from a reaction of iron filings in dilute sulfuric acid. He collected the gas and found it to be
highly flammable and very light: qualities that made the gas seem unusual. He was also the first person to prove that when <strong>hydrogen</strong> burned it formed water. Because the element produces water when burned in air, the French chemist Lavoisier gave it the name <strong>hydrogen</strong>, which means "<strong>water producer</strong>" (from the Greek: hydro (water υδρο) and gennao (to produce γενναω).</p>
<p><strong>Hydrogen</strong> is the most abundant element in the universe (88% of all atoms). It is the lightest of all the elements with 1 <strong>proton</strong> and 1 <strong>electron</strong>. It is the nuclear fuel consumed by our Sun and other stars to produce energy. At the Sun’s center, the temperature is around 15 million °C and the density is 200 kilograms per liter. In such conditions, <strong>hydrogen</strong> participates in a nuclear process and form helium nuclei, emitting huge amounts of energy.</p>
<p>At standard temperature and pressure (STP), hydrogen is a colorless and odorless gas that exists in the <strong>diatomic form H<sub>2</sub></strong> (“diatomic” meaning that it consists of two atoms). In this form, hydrogen easily combines with oxygen, to forms water that fills the seas, rivers, lakes and clouds. Combined with carbon, it helps to bond the cells of living beings. Hydrogen is also an important part of petroleum, startch, fats, cellulose, alcohols, acids. In Figure I.1 below hydrogen is evolved (bubbles) when Zn metal reacts with hydrochloric acid.</p>
<p>Hydrogen is a commercially important substance. Today, around 70 million tons of hydrogen are produced yearly and large quantities go into <strong>fertilizer</strong> production. Nitrogen and hydrogen are used as part of the <strong>Haber–Bosch process</strong>, which uses natural gas and air to create ammonia—an important raw material in fertilizer production.</p>
<p><strong>Hydrogen</strong> is also used to manufacture <strong>methanol</strong>, CH<sub>3</sub>OH, via the catalytic reaction of CO and H<sub>2</sub> at high pressure and temperature.</p>
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<p> </p>
<div align="center"><a href="https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEjW0tP2R6mDHAuL1kU92e7x-JEBOwtgVVwyZm0BG5F0Q7gUX6q2bowWiQtD3mViThyphenhyphenShZ5-Lets84n2VmXXdCXd77mrzrNV8E2Q-xvbqzt24BnDD8WZYlmDGDxL3x1J66yZpOcfp9vxI_Y/s1600/zn_hcl+%25282%2529+-+Copy.jpg"><img src="https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEjW0tP2R6mDHAuL1kU92e7x-JEBOwtgVVwyZm0BG5F0Q7gUX6q2bowWiQtD3mViThyphenhyphenShZ5-Lets84n2VmXXdCXd77mrzrNV8E2Q-xvbqzt24BnDD8WZYlmDGDxL3x1J66yZpOcfp9vxI_Y/s1600/zn_hcl+%25282%2529+-+Copy.jpg" alt="Figure I.1: Zn metal reacting with HCl acid. The bubbles formed is hydrogen gas" title="Figure I.1: Zn metal reacting with HCl acid. The bubbles formed is hydrogen gas"></a></div>
<div>
<p>Hydrogen is also used as a <strong>rocket fuel</strong>. <strong>Combustion of hydrogen - oxygen mixtures</strong> is commonly used in liquid-fuel rocket engines such as those of the space shuttles.</p></div>
<p> </p>
<hr>
<p> </p>
<p class="posts"><strong><u>Relevant Posts</u></strong></p>
<p class="posts"><a href="http://chem-net.blogspot.com/2011/05/lewis-structures-and-octet-rule-simple.html" title="Lewis Structures|Octet Rule: A Simple Method to write Lewis Structures ">Lewis Structures|Octet Rule: A Simple Method to write Lewis Structures </a></p>
<p class="posts"> </p>
<p class="posts"> </p>
<hr>
<p> </p>
<p class="posts"><strong><u>References</u></strong></p>
<div>
<ol>
<li>P. Parsons & G. Dixon "The Periodic Table”, Quercus, 2014</li>
<li>David W. Oxtoby, H.P. Gillis, Alan Campion, “Principles of Modern Chemistry”, Sixth Edition, Thomson Brooks/Cole, 2008</li>
<li>Steven S. Zumdahl, “Chemical Principles” 6th Edition, Houghton Mifflin Company, 2009</li>
</ol>
<ol>
</ol>
</div>
<hr>
<p> </p>
<p class="posts"><strong><u>Key Terms</u></strong></p>
<p><strong><u>hydrogen</u></strong>, <strong><u>element,</u></strong> <strong><u>proton</u></strong>, <strong><u> history of hydrogen, Henry Cavendish</u></strong>, <strong><u>diatomic form of H, Haber-Bosch process, fertilizers, molecular orbital theory</u></strong>, </p>
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K.G.K. (Quality Editions)http://www.blogger.com/profile/18164345508953392426noreply@blogger.com0tag:blogger.com,1999:blog-69387733388315341.post-79025141009859952352020-03-29T21:34:00.002+03:002020-03-29T21:34:58.148+03:00Lewis Structures of Sulfur Trioxide (SO3) & Electrostatic Potentials (ESP)
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Lewis Electron Dot Structure of sulfur trioxide SO3
A simple procedure for writing Lewis Structures was given in a previous article entitled “Lewis Structures and the Octet Rule”. Several worked examples relevant to this procedure were given in previous posts please see the Sitemap - Table of Contents (Lewis Electron Dot Structures).
The Lewis Electron Dot Structures of SO3 were drawn using this procedure in a previous article entitled "Simple Procedure for writing Lewis Structures – Lewis Structures for sulfur trioxide SO3"
Lewis structures #1 - #4 are the derived resonance structures:
Molecular Orbital Theory and ab initio calculations can be used to calculate and draw the electrostatic potential (ESP) of a molecule.
The molecular electrostatic potential is the potential energy of a proton at a particular location near a molecule. There are negative and positive ESP's.
Negative electrostatic potential corresponds to a attraction of the proton by the concentrated electron density in the molecules (mainly from lone pairs, pi-bonds,... ) (colored red). Red color in electrostatic potential drawings show areas with high electron density.
Positive electrostatic potential corresponds to repulsion of the proton by the atomic nuclei in regions where low electron density exists and the nuclear charge is incompletely shielded (colored blue). Blue color in electrostatic potential drawings show areas with low electron density.
Several ab initio softwares calculate electrostatic potentials based on quantum mechanically derived molecular orbitals. The electrostatic potential of SO3 derived by ab initio calculations is shown below:
It is to be noted that most of the negative charge (electron rich areas, colored red) is concentrated on the oxygen atoms of SO3 as it is expected from the Lewis structures of SO3 and by chemical intuition. Most of the positive charge (electron deficient areas, colored blue) is concentrated on the S atom as it is expected from the Lewis structures of SO3 and by chemical intuition.
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<h1>Lewis Electron Dot Structure of Sulfur Trioxide SO<sub>3</sub> & Electrostatic Potentials ESP</h1>
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<div>
<p>A <strong>simple procedure</strong> for writing <a href="http://chem-net.blogspot.com/2011/05/lewis-structures-and-octet-rule-simple.html" title="Lewis Structures and the Octet Rule"><strong>Lewis Structures</strong></a> was given in a previous article entitled <a href="https://chem-net.blogspot.com/2011/05/lewis-structures-and-octet-rule-simple.html">“<strong>Lewis Structures and the Octet Rule</strong>”.</a> Several worked examples relevant to this procedure were given in previous posts please see the <a href="http://chem-net.blogspot.gr/p/table.html"><strong>Sitemap - Table of Contents (Lewis Electron Dot Structures)</strong></a>.</p>
<p>The Lewis Electron Dot Structures of SO<sub>3</sub> were drawn using this procedure in a previous article entitled<a href="https://chem-net.blogspot.com/2011/05/simple-procedure-for-writing-lewis_27.html"><strong> "Simple Procedure for writing Lewis Structures – Lewis Structures for sulfur trioxide SO<sub>3</sub></strong></a>"</p>
</div>
<p>Lewis structures #1 - #4 are the derived resonance structures: </p>
<div></div>
<div></div>
<div align="center"><a href="https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEjiIGrZ3nywVuMBkiuiEtYifsMo6uVSWom3ra5lhEncQuj9zcfWZ9DQlkm4ro_n4SR7TjKheIPMLy4nFRpeMgIBDmO67Z9SVW-BT4KhUYRqV8WMsGHV5aNeYrwSJAUVl1Ot_5lWre9jtSk/"><img src="https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEhhnH4Evwbfs94sK9-NqQEuE8MAk4aMDvgNyVOnwXlQfooTz4czfyChCI4Q-fW26-iueLtAZimJ1e9eFHdyyNtCQMGMnODF0KLXvb7dzwOP2skeEHi52tZ9TkpT5P18BkMI93blpzyO1_4/s1600/so3_f.PNG" alt="Figure I.2: Lewis structures for SO3. In this case the sulfur atom, using valency shell n =3 is not restricted to an octet, and additional double bonds may be generated from the oxygen lone pairs to equalize the charge. Resonance structure 4 is the most probable one since the there is no charge separation." title="Figure 2: Lewis structures for SO3. In this case the sulfur atom, using valency shell n =3 is not restricted to an octet, and additional double bonds may be generated from the oxygen lone pairs to equalize the charge. Resonance structure 4 is the most probable one since the there is no charge separation."></a></div>
<p> </p>
<div>
<p><strong>Molecular Orbital Theory</strong> and <strong>ab initio calculations</strong> can be used to calculate and draw the <strong> electrostatic potential</strong> <strong>(ESP)</strong> of a molecule. </p>
<p>The molecular <strong>electrostatic potential</strong> is the potential energy of a proton at a particular location near a molecule. There are negative and positive ESP's.</p>
<p><strong>Negative electrostatic potential</strong> corresponds to a attraction of the proton by the concentrated electron density in the molecules (mainly from lone pairs, pi-bonds,... ) (colored red). Red color in electrostatic potential drawings show areas with high electron density.</p>
<p><strong>Positive electrostatic potential</strong> corresponds to repulsion of the proton by the atomic nuclei in regions where low electron density exists and the nuclear charge is incompletely shielded (colored blue). Blue color in electrostatic potential drawings show areas with low electron density.</p>
<p>Several ab initio softwares calculate electrostatic potentials based on quantum mechanically derived molecular orbitals. The electrostatic potential of SO<sub>3</sub> derived by ab initio calculations is shown below:</p></div>
<p></p>
<center></center>
<div class="c20">
</div>
<div align="center"><a href="https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEjiIGrZ3nywVuMBkiuiEtYifsMo6uVSWom3ra5lhEncQuj9zcfWZ9DQlkm4ro_n4SR7TjKheIPMLy4nFRpeMgIBDmO67Z9SVW-BT4KhUYRqV8WMsGHV5aNeYrwSJAUVl1Ot_5lWre9jtSk/"><img src="https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEj6GcARChk79CSBZ_QIQVpVEiqF5KGD-h_kugag73uGDVQBgps8gmgRraS1smzGN69CR6zaf5wPmrBBqqHUq2yATzHgvXGUiXZLTk2WAmOa-PLHhGuMtUEbwc78tcV8THsixfn-VdI21B8/s1600/so3_ep.jpg" alt="Figure I.3: Electrostatic Potential of SO3. Red-colored areas are electron-rich. Blue-colored areas are electron deficient. The electrostatic potential is in agreement with the Lewis structures of SO3 showing most of the electron density on the O atoms and most of the positive charge (electron deficient area) on the sulfur S atom"></a></div>
<p>It is to be noted that most of the negative charge (electron rich areas, colored red) is concentrated on the oxygen atoms of SO<sub>3 </sub> as it is expected from the <strong>Lewis structures of SO<sub>3</sub></strong> and by chemical intuition. Most of the positive charge (electron deficient areas, colored blue) is concentrated on the S atom as it is expected from the Lewis structures of SO<sub>3</sub> and by chemical intuition.</p>
<p> </p>
<hr>
<p> </p>
<p class="posts"><strong><u>Relevant Posts</u></strong></p>
<p class="posts"><a href="http://chem-net.blogspot.com/2011/05/lewis-structures-and-octet-rule-simple.html" title="Lewis Structures|Octet Rule: A Simple Method to write Lewis Structures ">Lewis Structures|Octet Rule: A Simple Method to write Lewis Structures </a></p>
<p class="posts"><a href="http://chem-net.blogspot.com/2013/02/covalent-lewis-structure-so2-simple.html" title="Lewis structure of SO2 – Simple Procedure for drawing Dot structures">Lewis structure of SO<u><sub>2</sub></u> – Simple Procedure for drawing Dot structures</a></p>
<p class="posts"><a href="http://chem-net.blogspot.com/2012/11/lewis-dot-structure-of-sulfite-ion-so3.html" title="Lewis Dot Structure of the sulfite ion SO3-2 ">Lewis Dot Structure of the sulfite ion SO<sub>3</sub>-2 </a></p>
<p class="posts"> </p>
<hr>
<p> </p>
<p class="posts"><strong><u>References</u></strong></p>
<div>
<ol>
<li>G.N. Lewis, J.A.C.S, 38, 762-785, (1916)</li>
<li> E. C. McGoran, J. Chem. Educ., 68, 19-23 (1991)</li>
<li>A.B.P. Lever, J. Chem. Educ., 49, 819-821, (1972)</li>
</ol>
<ol>
</ol>
</div>
<hr>
<p> </p>
<p class="posts"><strong><u>Key Terms</u></strong></p>
<p><strong><u>resonance structures of sulfur trioxide SO3</u></strong>, <strong><u>Lewis electron structures of SO3,</u></strong> <strong><u>chemical formula of SO3</u></strong>, <strong><u> simple method for drawing Lewis structures of SO3</u></strong>,<strong><u> electrostatic potential</strong>, <strong>ab initio,<u>molecular orbital theory</strong></p>
u>
</p>
</p>
<p> </p>
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Relevant Posts
Bond Dissociation Enthalpies EH(A-B)
References
CRC Handbook of Chemistry and Physics, 52nd edition, The Chemical Rubber Co., (1971)
David W. Oxtoby, H.P. Gillis, Alan Campion, “Principles of Modern Chemistry”, Sixth Edition, Thomson Brooks/Cole, 2008
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<h1>Periodic Table with Bond Dissociation Enthalpies EH(A-A)</h1></div>
<p> </p>
<div>
<p><strong>Bond dissociation enthalpies</strong> (energies) for bonds A-A at 298 K and 1 atm pressure are given in Table 1. Average values of bond dissociation enthalpies of the A-B bond in a series of different compounds are given in the post "<a href="https://chem-net.blogspot.com/2017/03/bond-dissociation-enthalpies.html"><strong>Bond Dissociation Enthalpies</strong></a>"</p>
<p> </p>
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<table class="center" id="table_title">
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<th width="684"> Table 1: Bond Dissociation Enthalpies EH (A-A) (kJ/mol) at 298 K and 1 atm </th>
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</table>
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<td style="width: 35px ;background-color:#F6BD9B;">1</td>
<td style="width: 35px ; background-color:#F6BD9B;">2</td>
<td style="width: 35px; background-color:#F6BD9B">3</td>
<td style="width: 35px; background-color:#F6BD9B">4</td>
<td style="width: 35px; background-color:#F6BD9B">5</td>
<td style="width: 35px ;background-color:#F6BD9B;">6</td>
<td style="width: 35px ; background-color:#F6BD9B;">7</td>
<td style="width: 35px; background-color:#F6BD9B">8</td>
<td style="width: 35px; background-color:#F6BD9B">9</td>
<td style="width: 35px; background-color:#F6BD9B">10</td>
<td style="width: 35px ;background-color:#F6BD9B;">11</td>
<td style="width: 35px ; background-color:#F6BD9B;">12</td>
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<td><p class="posts">H</p>
<p class="formula">436</p></td>
<td><p class="posts"> </p></td>
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<th><p class="posts">Li</p>
<p class="formula">102.8</p></th>
<th><p class="posts">Be</p>
<p class="formula">9.46</p></th>
<th> </th>
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<th><p class="posts"> </p></th>
<th><p class="posts"> </p></th>
<th> </th>
<th> </th>
<th> </th>
<th><p class="posts"> </p></th>
<th><p class="posts"> </p></th>
</tr>
<tr>
<td><p class="posts">Na</p>
<p class="formula">72.6</p></td>
<td><p class="posts">Mg</p>
<p class="formula"> </p></td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
</tr>
<tr>
<th><p class="posts">K</p>
<p class="formula">54.8</p></th>
<th><p class="posts">Ca</p>
<p class="formula"> </p></th>
<th><p class="posts">Sc</p>
<p class="formula"> </p></th>
<th><p class="posts">Ti</p>
<p class="formula"> </p></th>
<th><p class="posts">V</p>
<p class="formula"> </p></th>
<th><p class="posts">Cr</p>
<p class="formula"> </p></th>
<th><p class="posts">Mn</p>
<p class="formula"> </p></th>
<th><p class="posts">Fe</p>
<p class="formula"> </p></th>
<th><p class="posts">Co</p>
<p class="formula"> </p></th>
<th><p class="posts">Ni</p>
<p class="formula"> </p></th>
<th><p class="posts">Cu</p>
<p class="formula"> </p></th>
<th><p class="posts">Zn</p>
<p class="formula"> </p></th>
</tr>
<tr>
<td><p class="posts">Rb</p>
<p class="formula">51.0</p></td>
<td><p class="posts">Sr</p>
<p class="formula"> </p></td>
<td><p class="posts">Y</p>
<p class="formula"> </p></td>
<td><p class="posts">Zr</p>
<p class="formula"> </p></td>
<td><p class="posts">Nb</p>
<p class="formula"> </p></td>
<td><p class="posts">Mo</p>
<p class="formula"> </p></td>
<td><p class="posts">Tc</p>
<p class="formula"> </p></td>
<td><p class="posts">Ru</p>
<p class="formula"> </p></td>
<td><p class="posts">Rh</p>
<p class="formula"> </p></td>
<td><p class="posts">Pd</p>
<p class="formula"> </p></td>
<td><p class="posts">Ag</p>
<p class="formula"> </p></td>
<td><p class="posts">Cd</p>
<p class="formula"> </p></td>
</tr>
<tr>
<th><p class="posts">Cs</p>
<p class="formula">44.8</p></th>
<th><p class="posts">Ba</p>
<p class="formula"> </p></th>
<th><p class="posts">La</p>
<p class="formula"> </p></th>
<th><p class="posts">Hf</p>
<p class="formula"> </p></th>
<th><p class="posts">Ta</p>
<p class="formula"> </p></th>
<th><p class="posts">W</p>
<p class="formula"> </p></th>
<th><p class="posts">Re</p>
<p class="formula"> </p></th>
<th><p class="posts">Os</p>
<p class="formula"> </p></th>
<th><p class="posts">Ir</p>
<p class="formula"> </p></th>
<th><p class="posts">Pt</p>
<p class="formula"> </p></th>
<th><p class="posts">Au</p>
<p class="formula"> </p></th>
<th><p class="posts">Hg</p>
<p class="formula"> </p></th>
</tr>
<tr>
<td><p class="posts">Fr</p>
<p class="formula"> </p></td>
<td><p class="posts">Ra</p>
<p class="formula"> </p></td>
<td><p class="posts">Ac</p>
<p class="formula"> </p></td>
<td><p class="posts">Th</p>
<p class="formula"> </p></td>
<td><p class="posts">Pa</p>
<p class="formula"> </p></td>
<td><p class="posts">U</p>
<p class="formula"> </p></td>
<td><p class="posts">Np</p>
<p class="formula"> </p></td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
</tr>
<tr>
</tr>
</tbody>
</table>
<p> </p>
<table width="364" class="center" id="table_title">
<tbody>
<tr>
<th width="536"> Table 1 (continued...)</th>
</tr>
</tbody>
</table>
<table class="center" id="table_1">
<tbody>
<tr>
<td style="width: 35px; background-color:#F6BD9B">13</td>
<td style="width: 35px; background-color:#F6BD9B">14</td>
<td style="width: 35px; background-color:#F6BD9B">15</td>
<td style="width: 35px; background-color:#F6BD9B">16</td>
<td style="width: 35px; background-color:#F6BD9B">17</td>
</tr>
<tr>
<th><p class="posts">B</p>
<p class="formula">295</p></th>
<th><p class="posts">C</p>
<p class="formula">178</p></th>
<th><p class="posts">N</p>
<p class="formula">945</p></th>
<th><p class="posts">O</p>
<p class="formula">498</p></th>
<th><p class="posts">F</p>
<p class="formula">158</p></th>
</tr>
<tr>
<td><p class="posts">Al</p>
<p class="formula">167</p></td>
<td><p class="posts">Si</p>
<p class="formula">317</p></td>
<td><p class="posts">P</p>
<p class="formula">485</p></td>
<td><p class="posts">S</p>
<p class="formula">429</p></td>
<td><p class="posts">Cl</p>
<p class="formula">243</p></td>
</tr>
<tr>
<th><p class="posts">Ga</p>
<p class="formula">116</p></th>
<th><p class="posts">Ge</p>
<p class="formula">280</p></th>
<th><p class="posts">As</p>
<p class="formula">383</p></th>
<th><p class="posts">Se</p>
<p class="formula">308</p></th>
<th><p class="posts">Br</p>
<p class="formula">193</p></th>
</tr>
<tr>
<td><p class="posts">In</p>
<p class="formula">106</p></td>
<td><p class="posts">Sn</p>
<p class="formula">192</p></td>
<td><p class="posts">Sb</p>
<p class="formula">289</p></td>
<td><p class="posts">Te</p>
<p class="formula">225</p></td>
<td><p class="posts">I</p>
<p class="formula">151</p></td>
</tr>
<tr>
<th><p class="posts">Tl</p>
<p class="formula">˜63</p></th>
<th><p class="posts">Pb</p>
<p class="formula">61</p></th>
<th><p class="posts">Bi</p>
<p class="formula">194</p></th>
<th><p class="posts">Po</p>
<p class="formula"> </p></th>
<th><p class="posts">At</p>
<p class="formula">110</p></th>
</tr>
</tbody>
</table>
<p> </p>
<hr>
<div><p class="titles"><strong><u>Relevant Posts</u></strong></p>
<p class="posts"><a href="https://chem-net.blogspot.com/2017/03/bond-dissociation-enthalpies.html">Bond Dissociation Enthalpies EH(A-B)</a></p>
<p class="posts"> </p>
</div>
<hr>
<div><p class="titles"><strong><u>References</u></strong></p><ol>
<li>CRC Handbook of Chemistry and Physics, 52nd edition, The Chemical Rubber Co., (1971)</li>
<li>David W. Oxtoby, H.P. Gillis, Alan Campion, “Principles of Modern Chemistry”, Sixth Edition, Thomson Brooks/Cole, 2008</li>
<li>Steven S. Zumdahl, “Chemical Principles” 6th Edition, Houghton Mifflin Company, 2009</li>
</ol>
</div>
<hr>
<div><p class="titles"><strong><u>Key Terms</u></strong> </p></div>
<p><strong><u>bond enthalpies, bond dissociation enthalpies, table with bond dissociation enthalpies</u></strong>,</p>
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<div class="breadcrumbs"><a href="https://chem-net.blogspot.com/">Home</a> > <a href="https://chem-net.blogspot.com/2016/12/chemical-news-interesting-chem-phys-index.html">Fundamental Physical Constants - Chemical - Physical - Thermochemical Data</a> > <a href="https://chem-net.blogspot.com/2017/03/ionic-radius-periodic-table-elements.html">Ionic Radius Periodic Table of the Elements</a> > Atomic Radius Periodic Table of the Elements</div>
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Relevant Posts
Electronegativities Periodic Table of the Elements
References
CRC Handbook of Chemistry and Physics, 52nd edition, The Chemical Rubber Co., (1971)
David W. Oxtoby, H.P. Gillis, Alan Campion, “Principles of Modern Chemistry”, Sixth Edition, Thomson Brooks/Cole, 2008
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<div>
<h1>Periodic Table with Atomic Radius</h1></div>
<p> </p>
<div>
<p><strong>Atom size</strong> values cannot be specified exactly. These values can be obtained by measuring the distances between atoms in chemical compounds. Measurements of this type have led to the values of <strong>atomic radii for the elements</strong> shown below.</p>
<p> </p>
</div>
<div></div>
<div></div>
<div></div>
<table class="center" id="table_title">
<tbody>
<tr>
<th> Table 1: Periodic Table with Atomic Radii (Å) of the elements</th>
</tr>
</tbody>
</table>
<table class="center" id="table_1">
<tbody>
<tr>
<td style="width: 35px ;background-color:#F6BD9B;">1</td>
<td style="width: 35px ; background-color:#F6BD9B;">2</td>
<td style="width: 35px; background-color:#F6BD9B">3</td>
<td style="width: 35px; background-color:#F6BD9B">4</td>
<td style="width: 35px; background-color:#F6BD9B">5</td>
<td style="width: 35px ;background-color:#F6BD9B;">6</td>
<td style="width: 35px ; background-color:#F6BD9B;">7</td>
<td style="width: 35px; background-color:#F6BD9B">8</td>
<td style="width: 35px; background-color:#F6BD9B">9</td>
<td style="width: 35px; background-color:#F6BD9B">10</td>
<td style="width: 35px ;background-color:#F6BD9B;">11</td>
<td style="width: 35px ; background-color:#F6BD9B;">12</td>
</tr>
<tr>
<td><p class="posts">H</p>
<p class="formula">0.37</p></td>
<td><p class="posts"> </p></td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
</tr>
<tr>
<th><p class="posts">Li</p>
<p class="formula">1.52</p></th>
<th><p class="posts">Be</p>
<p class="formula">1.13</p></th>
<th> </th>
<th> </th>
<th> </th>
<th><p class="posts"> </p></th>
<th><p class="posts"> </p></th>
<th> </th>
<th> </th>
<th> </th>
<th><p class="posts"> </p></th>
<th><p class="posts"> </p></th>
</tr>
<tr>
<td><p class="posts">Na</p>
<p class="formula">1.86</p></td>
<td><p class="posts">Mg</p>
<p class="formula">1.60</p></td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
</tr>
<tr>
<th><p class="posts">K</p>
<p class="formula">2.27</p></th>
<th><p class="posts">Ca</p>
<p class="formula">1.97</p></th>
<th><p class="posts">Sc</p>
<p class="formula">1.61</p></th>
<th><p class="posts">Ti</p>
<p class="formula">1.45</p></th>
<th><p class="posts">V</p>
<p class="formula">1.31</p></th>
<th><p class="posts">Cr</p>
<p class="formula">1.25</p></th>
<th><p class="posts">Mn</p>
<p class="formula">1.37</p></th>
<th><p class="posts">Fe</p>
<p class="formula">1.24</p></th>
<th><p class="posts">Co</p>
<p class="formula">1.25</p></th>
<th><p class="posts">Ni</p>
<p class="formula">1.25</p></th>
<th><p class="posts">Cu</p>
<p class="formula">1.28</p></th>
<th><p class="posts">Zn</p>
<p class="formula">1.34</p></th>
</tr>
<tr>
<td><p class="posts">Rb</p>
<p class="formula">2.47</p></td>
<td><p class="posts">Sr</p>
<p class="formula">2.15</p></td>
<td><p class="posts">Y</p>
<p class="formula">1.78</p></td>
<td><p class="posts">Zr</p>
<p class="formula">1.59</p></td>
<td><p class="posts">Nb</p>
<p class="formula">1.43</p></td>
<td><p class="posts">Mo</p>
<p class="formula">1.36</p></td>
<td><p class="posts">Tc</p>
<p class="formula">1.35</p></td>
<td><p class="posts">Ru</p>
<p class="formula">1.32</p></td>
<td><p class="posts">Rh</p>
<p class="formula">1.34</p></td>
<td><p class="posts">Pd</p>
<p class="formula">1.38</p></td>
<td><p class="posts">Ag</p>
<p class="formula">1.44</p></td>
<td><p class="posts">Cd</p>
<p class="formula">1.49</p></td>
</tr>
<tr>
<th><p class="posts">Cs</p>
<p class="formula">2.65</p></th>
<th><p class="posts">Ba</p>
<p class="formula">2.17</p></th>
<th><p class="posts">La</p>
<p class="formula">1.72</p></th>
<th><p class="posts">Hf</p>
<p class="formula">1.56</p></th>
<th><p class="posts">Ta</p>
<p class="formula">1.43</p></th>
<th><p class="posts">W</p>
<p class="formula">1.37</p></th>
<th><p class="posts">Re</p>
<p class="formula">1.34</p></th>
<th><p class="posts">Os</p>
<p class="formula">1.34</p></th>
<th><p class="posts">Ir</p>
<p class="formula">1.36</p></th>
<th><p class="posts">Pt</p>
<p class="formula">1.37</p></th>
<th><p class="posts">Au</p>
<p class="formula">1.44</p></th>
<th><p class="posts">Hg</p>
<p class="formula">1.50</p></th>
</tr>
<tr>
<td><p class="posts">Fr</p>
<p class="formula">~2.7</p></td>
<td><p class="posts">Ra</p>
<p class="formula">2.23</p></td>
<td><p class="posts">Ac</p>
<p class="formula">1.88</p></td>
<td><p class="posts">Th</p>
<p class="formula">1.80</p></td>
<td><p class="posts">Pa</p>
<p class="formula">1.61</p></td>
<td><p class="posts">U</p>
<p class="formula">1.38</p></td>
<td><p class="posts">Np</p>
<p class="formula">1.30</p></td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
</tr>
<tr>
</tr>
</tbody>
</table>
<p> </p>
<table width="364" class="center" id="table_title">
<tbody>
<tr>
<th width="536"> Table 1 (continued...)</th>
</tr>
</tbody>
</table>
<table class="center" id="table_1">
<tbody>
<tr>
<td style="width: 35px; background-color:#F6BD9B">13</td>
<td style="width: 35px; background-color:#F6BD9B">14</td>
<td style="width: 35px; background-color:#F6BD9B">15</td>
<td style="width: 35px; background-color:#F6BD9B">16</td>
<td style="width: 35px; background-color:#F6BD9B">17</td>
</tr>
<tr>
<th><p class="posts">B</p>
<p class="formula">0.88</p></th>
<th><p class="posts">C</p>
<p class="formula">0.77</p></th>
<th><p class="posts">N</p>
<p class="formula">0.70</p></th>
<th><p class="posts">O</p>
<p class="formula">0.66</p></th>
<th><p class="posts">F</p>
<p class="formula">0.64</p></th>
</tr>
<tr>
<td><p class="posts">Al</p>
<p class="formula">1.43</p></td>
<td><p class="posts">Si</p>
<p class="formula">1.17</p></td>
<td><p class="posts">P</p>
<p class="formula">1.10</p></td>
<td><p class="posts">S</p>
<p class="formula">1.04</p></td>
<td><p class="posts">Cl</p>
<p class="formula">0.99</p></td>
</tr>
<tr>
<th><p class="posts">Ga</p>
<p class="formula">1.22</p></th>
<th><p class="posts">Ge</p>
<p class="formula">1.22</p></th>
<th><p class="posts">As</p>
<p class="formula">1.21</p></th>
<th><p class="posts">Se</p>
<p class="formula">1.17</p></th>
<th><p class="posts">Br</p>
<p class="formula">1.14</p></th>
</tr>
<tr>
<td><p class="posts">In</p>
<p class="formula">1.63</p></td>
<td><p class="posts">Sn</p>
<p class="formula">1.40</p></td>
<td><p class="posts">Sb</p>
<p class="formula">1.41</p></td>
<td><p class="posts">Te</p>
<p class="formula">1.43</p></td>
<td><p class="posts">I</p>
<p class="formula">1.33</p></td>
</tr>
<tr>
<th><p class="posts">Tl</p>
<p class="formula">1.70</p></th>
<th><p class="posts">Pb</p>
<p class="formula">1.75</p></th>
<th><p class="posts">Bi</p>
<p class="formula">1.55</p></th>
<th><p class="posts">Po</p>
<p class="formula">1.67</p></th>
<th><p class="posts">At</p>
<p class="formula">1.40</p></th>
</tr>
</tbody>
</table>
<p> </p>
<hr>
<div><p class="titles"><strong><u>Relevant Posts</u></strong></p>
<p class="posts"><a href="https://chem-net.blogspot.com/2017/03/ionic-radius-periodic-table-elements.html">Ionic Radius Periodic Table of the Elements </a></p>
<p class="posts"> </p>
</div>
<hr>
<div><p class="titles"><strong><u>References</u></strong></p><ol>
<li>CRC Handbook of Chemistry and Physics, 52nd edition, The Chemical Rubber Co., (1971)</li>
<li>David W. Oxtoby, H.P. Gillis, Alan Campion, “Principles of Modern Chemistry”, Sixth Edition, Thomson Brooks/Cole, 2008</li>
<li>Steven S. Zumdahl, “Chemical Principles” 6th Edition, Houghton Mifflin Company, 2009</li>
</ol>
</div>
<hr>
<div><p class="titles"><strong><u>Key Terms</u></strong> </p></div>
<p><strong><u>atomic radius, periodic table with atomic radius</u></strong>,</p>
<hr>
</body>
</html>
K.G.K. (Quality Editions)http://www.blogger.com/profile/18164345508953392426noreply@blogger.com0tag:blogger.com,1999:blog-69387733388315341.post-56709032520734432492017-04-01T21:43:00.000+03:002017-04-01T21:48:00.930+03:00Comparing several group means by one-way ANOVA - Post Hoc tests using SPSS<!DOCTYPE html><html lang=en><meta charset=utf-8><title>Comparing several Group Means by ANOVA using SPSS</title><meta name="description" content="A statistical test for comparing more than two means is presented in this post. The so called one-way ANOVA (Analysis of variance test)is presented in this post since there is one factor in addition to the random error of the measurements that causes variation of the results. One-way ANOVA will answer the question: Is there a significant difference between the mean values (or levels), given that the means are calculated from a number of replicate measurements? In this post we are going to answer which mean differs from which mean by using Post Hoc tests. Post hoc tests (also called post hoc comparisons, multiple comparison tests, follow-up tests) are tests of the statistical significance of differences between group means calculated after - "post"- having done an analysis of variance (ANOVA) that shows an overall difference. The F ratio of the ANOVA indicates that some sort of statistically significant differences exist somewhere among the groups being studied. Post hoc analyses are meant to specify what kind and where."><style>
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<meta itemprop="description" content="A statistical test for comparing more than two means is presented in this post. The so called one-way ANOVA (Analysis of variance test)is presented in this post since there is one factor in addition to the random error of the measurements that causes variation of the results. One-way ANOVA will answer the question: Is there a significant difference between the mean values (or levels), given that the means are calculated from a number of replicate measurements? In this post we are going to answer which mean differs from which mean by using Post Hoc tests. Post hoc tests (also called post hoc comparisons, multiple comparison tests, follow-up tests) are tests of the statistical significance of differences between group means calculated after - "post"- having done an analysis of variance (ANOVA) that shows an overall difference. The F ratio of the ANOVA indicates that some sort of statistically significant differences exist somewhere among the groups being studied. Post hoc analyses are meant to specify what kind and where."/>
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<meta itemprop='articleBody' content="In a previous post entitled "Comparing several Group Means by One-Way Anova using SPSS" the one-way ANOVA test was presented. An example was given where the situation encountered was to compare mean results for the concentration of an analyte obtained by threel different methods. The dependent variable was the mean analytical results (labeled Analytical_Result_g) while the independent variable was the method used (labeled Method)
It is common in analytical work to run experiments in which there are three, four or even five levels of the independent variable (that can cause variation of the results in addition to random error of measurements) and in these cases the technique called analysis of variance (ANOVA) is used. ANOVA is an extremely powerful statistical technique for analysis of data that has the advantage that it can be used to analyze situations in which there are several independent variables (or better several levels of the independent variable).
The output of the ANOVA test showed that the mean results of the concentration of the analyte by the three methods used were not equal. In this post we are going to answer which mean differs from which mean by using Post Hoc tests. Post hoc tests (also called post hoc comparisons, multiple comparison tests, follow-up tests) are tests of the statistical significance of differences between group means calculated after - "post"- having done an analysis of variance (ANOVA) that shows an overall difference. The F ratio of the ANOVA indicates that some sort of statistically significant differences exist somewhere among the groups being studied. Post hoc analyses are meant to specify what kind and where.
There are various Post Hoc tests such as: Tukey's Honestly Significant Difference (HSD) test, Scheffe test, Newman-Keuls test and Duncan's Multiple Range test. If the assumption of homogeinity of variance has been met (equal variances assummed) - in our case has been proven in our previous post entitled "Comparing several Group Means by One-Way Anova using SPSS" - Tukey's test is used.
There are many ways to run the exact same ANOVA in SPSS. This time the General Linear Model is going to be used because it will provide us with an estimate for the effect size of our model (labeled as partial eta squared). The effect size will show us what percentage of the variance of the analytical results (of the dependent variable) can be accounted to the different methods used (of the independent variable).
Let us use again the same Example I.1
Example I.1
Figure I.1 shows the analytical results obtained regarding the weight of Au (in grams/ton) in a certified reference material X. Three different methods (Method 1, 2 and 3) were used for the determination and six replicate measurements were made in each case. Is there a significant difference in the means calculated by each method?
In SPSS access the main dialog box using Analyze General Linear Model Univariate (Fig. I.1)
In SPSS select as Dependent Variable: Analytical_Result_g and as Fixed Factor (independent variable): Method (Fig. I.2). Select also Post Hoc and Options tests.
The selection Post Hoc is pressed (Fig. I.3) and the independent variable method is selected for the Post Hoc tests (Fig. I.3). Then select the Tukey test and click Continue.
The selection Options is pressed (Fig. I.4) and the Estimates of the effect size is selected. Continue is pressed.
The SPSS ANOVA output of Between Subjects Effects is shown in Fig. I.5. The mean results for the dependent variable Analytical_Result_g obtained by the 3 different methods differ significantly since the p value denoted by Sig = 0.009 < 0.05. The result for the p value - as expected -is exactly the same with that obtained in the previous post mentionned above. However, an estimate of the effect size is given by this ANOVA test labeled as Partial Eta Squared. The different methods used account for some 47% (given as .470) of the variance in the means of the Analytical_Result_g.
From the results shown in the output of Between Subjects Effects (Fig. I.5) it appears that the 3 means compared differ significantly. But exactly which mean differs from which mean?
Certainly, histograms and the mean table that were given in the post "Comparing several Group Means by One-Way Anova using SPSS" gave us a clue. A more formal answer is given by the Tukey's test in the Multiple Comparisons table (Fig. I.6). Statistically significant mean differences are flagged with an asterisk (*). For instance, the very first line indicates that Method 1 has a mean value 0.2 higher than the mean value of Method 2 and this is statistically significant since Sig = 0.023 smaller than 0.05. Also since the confidence interval is not including zero means that zero difference between these means is unlikely.
Method 3 has a mean value 0.02 higher than the mean value of Method 1 and this is not statistically significant since Sig = 0.958 greater than 0.05. Also since the confidence interval is including zero means that zero difference between these means is likely.
Relevant Posts
Comparing several Group Means by ANOVA using SPSS
Statistics – Frequency Distributions, Normal Distribution, z-score s
References
D.B. Hibbert, J.J. Gooding, "Data Analysis for Chemistry", Oxford Univ. Press, 2005
J.C. Miller and J.N Miller, “Statistics for Analytical Chemistry”, Ellis Horwood Prentice Hall, 2008
Steven S. Zumdahl, “Chemical Principles” 6th Edition, Houghton Mifflin Company, 2009
D. Harvey, “Modern Analytical Chemistry”, McGraw-Hill Companies Inc., 2000
R.D. Brown, “Introduction to Chemical Analysis”, McGraw-Hill Companies Inc, 1982
S.L.R. Ellison, V.J. Barwick, T.J.D. Farrant, “Practical Statistics for the Analytical Scientist”, 2nd Edition, Royal Society of Chemistry, 2009
A. Field, “Discovering Statistics using SPSS” , Sage Publications Ltd., 2005
Key Terms
comparing several means, analysis of variance,post hoc tests, ANOVA, t-tests,
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<h1>Comparing of several Group Means by One-Way ANOVA using SPSS - Post Hoc Tests</h1></div><p><table id=table_inline_google_ad><tr><td><script async src=//pagead2.googlesyndication.com/pagead/js/adsbygoogle.js></script><ins class=adsbygoogle data-ad-client=ca-pub-6219154522782942 data-ad-slot=1762788140 style=display:inline-block;width:336px;height:280px></ins><script>(adsbygoogle=window.adsbygoogle||[]).push({})</script></table><div>
<p>In a previous post entitled <a href=https://chem-net.blogspot.gr/2015/08/one-sample-t-test-in-chemical-analysis.html title="One-Sample T-Test in Chemical Analysis – Statistical Treatment of Analytical Data"><strong>"Comparing several Group Means by One-Way Anova using SPSS"</strong></a> the one-way ANOVA test was presented. An example was given where the situation encountered was to compare mean results for the concentration of an analyte obtained by threel different methods.
The dependent variable was the mean analytical results (labeled <strong>Analytical_Result_g</strong>) while the independent variable was the method used (labeled <strong>Method</strong>)
<p>It is common in analytical work to run experiments in which there are <strong>three, four or even five levels of the independent variable</strong> (that can cause variation of the results in addition to <strong>random error</strong> of measurements) and in these cases the technique called <strong>analysis of variance (ANOVA)</strong> is used. <strong>ANOVA</strong> is an extremely powerful statistical technique for analysis of data that has the advantage that it can be used to analyze situations in which there are several independent variables (or better several levels of the independent variable).
<p>The output of the ANOVA test showed that the mean results of the concentration of the analyte by the three methods used were not equal. In this post we are going to answer which <strong>mean differs from which mean</strong> by using <strong>Post Hoc tests</strong>.
Post hoc tests (also called post hoc comparisons, multiple comparison tests, follow-up tests) are tests of the statistical significance of differences between group means calculated after - "post"- having done an analysis of variance (ANOVA) that shows an overall difference. The F ratio of the ANOVA indicates that some sort of statistically significant differences exist somewhere among the groups being studied. Post hoc analyses are meant to specify what kind and where.
<p>There are various Post Hoc tests such as: Tukey's Honestly Significant Difference (HSD) test, Scheffe test, Newman-Keuls test and Duncan's Multiple Range test. If the assumption of homogeinity of variance has been met (equal variances assummed) - in our case has been proven in our previous post entitled <a href=https://chem-net.blogspot.gr/2015/08/one-sample-t-test-in-chemical-analysis.html title="One-Sample T-Test in Chemical Analysis – Statistical Treatment of Analytical Data"><strong>"Comparing several Group Means by One-Way Anova using SPSS"</strong></a>
- Tukey's test is used.
<p>There are many ways to run the exact same ANOVA in SPSS. This time the General Linear Model is going to be used because it will provide us with an estimate for the effect
size of our model (labeled as partial eta squared). The effect size will show us what percentage of the variance of the analytical results (of the dependent variable) can be accounted to the different methods used (of the independent variable).
<p>Let us use again the same Example I.1
</div><div><p class=titles><u><strong>Example I.1</strong></u></div><div><p>Figure I.1 shows the analytical results obtained regarding the weight of Au (in grams/ton) in a certified reference material X. Three different methods (Method 1, 2 and 3) were used for the determination and six replicate measurements were made in each case. Is there a significant difference in the means calculated by each method?</div><p class=posts><img alt="Weight of Au (grams/ton) in a certified reference material X determined by 3 different methods - Example ANOVA"height=400 src=https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEgiKzaK5jecoEexvsZTALx9cUYoYSDjC7pb4cW9GGC0t63s2DksLKEHWr1j-NXjgzREsZHSS5HCw6T38qWbowOOogyRJaGq2BcS0XpNxaNGN8d3Ya9PoVj3HKq_ABA_w1lSPAzOrDb4Fi4/s400/anova_example_spreadsheet.jpg title="Fig. I.1: Weight of Au (grams/ton) determined by Method 1, 2 and 3 in a certified reference material"width=296><div>
<p> In SPSS access the main dialog box using Analyze <strong>--------></strong> General Linear Model <strong>--------> </strong>Univariate (Fig. I.1)</div><div></div><p class=posts><img alt="Selecting the General Linear Model, univariate in SPSS and run the ANOVA test" height=640 src=https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEjkl-N2j3lFige1XpIviYPc2PWpBL1BVcmk9Pcwl6OJdDhhUa5m6ijJnycJlVpWrTtjQDPelmlFDF_g_dudaHFWaGaCXqh01jlakEZmvegwO5rxvkYL98IRpE6MJypUqaHuBZo6I7Pikng/s1600/anova_1.jpg title="Fig. I.1: Selecting the General Linear Model in SPSS"width=547><div></div><div>
<p>In SPSS select as Dependent Variable: Analytical_Result_g and as Fixed Factor (independent variable): Method (Fig. I.2). Select also Post Hoc and Options tests.</div><p class=posts><img alt="Selecting the Dependent variable (Analytical _Result_g) and the Independent Variable (Method)"height=356 src=https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEhmGLa91GClbXbGdeAXsYDy34PLRCCID0njIFg8D0CDt03eQRmT38D8ebQ7O9QxYSFrSv-0fv6BywMzPK3M8jWB8Rv1kz4CpTd-j59whlZYolxWp6ksxcRAUroCW2RlafZOj6BBG6ry_PE/s1600/anova_2.jpg title="Fig. I.2: SPSS Main Dialog Box: Selecting the Dependent variable and the independent variable"width=640>
<p class=posts>
<div>
<p>The selection Post Hoc is pressed (Fig. I.3) and the independent variable method is selected for the Post Hoc tests (Fig. I.3). Then select the Tukey test and click Continue.</div><p class=posts><img alt="The SPSS dialog box for Post Hoc tests: The Tukey test is selected"height=372 src=https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEjGace7jXQ_SKBfwLjQykmRnJJWmfwB_w0Z9bLYntU13Bev_civanqa3MyGAr4ydKFRsRm6-vBhRK2vaPe684HBDdqFI2UffMVr2iys7SVU8bmw3ZQxuaRaTp2kHESNvdYWYvjGv8qb3GA/s1600/anova_3.jpg title="Fig. I.3: The SPSS dialog box Post Hoc Multiple comparisons for oberved Means: The Tukey test is selected"width=640><div>
<p>The selection Options is pressed (Fig. I.4) and the Estimates of the effect size is selected. Continue is pressed.</div><p class=posts><img src="https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEhI37Kn6G7GG3rpx-PGgQxy9Zoqi_ybLFSBxt1oQ8_9PLpFIbq-a9PZ2UAX_EgLE6jFGDIUjApPbbSuR2cJpapjT-OIZmmrTeX4hFWGm0Qifu3Rpa2-iir6Wjx1luraVRnYepkZlK9Y18c/s640/anova_4.jpg" alt="The SPSS dialog box Options: estimates of effect size and homogeinity tests are selected"width=640height=412//4 title="Fig. I.4: The SPSS dialog box Options: Estiimates of effect size is selected" I.4: https:>
<div>
<p>
The SPSS ANOVA output
of Between Subjects Effects is shown in Fig. I.5. The mean results for the dependent variable Analytical_Result_g obtained by the 3 different methods differ significantly since the p value denoted by Sig = 0.009 < 0.05. The result for the p value - as expected -is exactly the same with that obtained in the previous post mentionned above. However, an estimate of the effect size is given by this ANOVA test labeled as Partial Eta Squared. The different methods used account for some 47% (given as .470) of the variance in the means of the Analytical_Result_g. </p></div>
<p class=posts><img alt="The SPSS Output for Between Subjects Effects with an estimate of the effect size given as partial eta squared"height=272 src=https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEhgBxmG1YrO0XnJPmNMkOlWfccv9jrepxu51XYS4Iaxm9bHUDp7l5Y4w0euRM7eKZ6QQjDe7BAyHaSSGKiGLp2x_Kw-TqjQjYNlNqiHuWGi1JOyR81Ocw5MH-n3tbotWscADcsZPIKyy1k/s640/anova_5.jpg title="Fig. I.5: The SPSS Output - Between Subject Effects"width=640><div></p>
<div>
<p>From the results shown in the output of Between Subjects Effects (Fig. I.5) it appears that the 3 means compared differ significantly. But exactly <strong>which mean differs from which mean?</strong></p>
<p>Certainly, histograms and the mean table that were given in the post <a href=https://chem-net.blogspot.gr/2015/08/one-sample-t-test-in-chemical-analysis.html title="One-Sample T-Test in Chemical Analysis – Statistical Treatment of Analytical Data"><strong>"Comparing several Group Means by One-Way Anova using SPSS"</strong></a> gave us a clue. A more formal answer is given by the Tukey's test in the Multiple Comparisons table (Fig. I.6). Statistically significant mean differences are flagged with an asterisk (*). For instance, the very first line indicates that Method 1 has a mean value 0.2 higher than the mean value of Method 2 and this is statistically significant since Sig = 0.023 < 0.05. Also since the confidence interval is not including zero means that zero difference between these means is unlikely.</p></div>
<p class=posts><img alt="The SPSS Output for Post hoc Tests"height=382 src=https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEhPhh-xTEBokxP2zV0HcmasTNi9juNcyVPQGmt2B4U8j7rC_gYblPEx9kptgBrUrh5L2ObrGsHJ2m9UM6vtqMVB6VNd0EUVKu3QVkwDeiK1BtxXhVmIV9vHShvaiNZCyAOv7tEHOXn3iRo/s640/anova_6.jpg title="Fig. I.6: The SPSS Output - Post Hoc Tests: Tukey's test"width=640>
</p>
<p> </p>
<div>
<p>Method 3 has a mean value 0.02 higher than the mean value of Method 1 and this is not statistically significant since Sig = 0.958 > 0.05. Also since the confidence interval is including zero means that zero difference between these means is likely.</p></div>
</div>
<hr><div><p class=titles><strong><u>Relevant Posts</u></strong><p class=posts><a href=https://chem-net.blogspot.com/2017/02/comparing-several-means-anova-spss.html>Comparing several Group Means by ANOVA using SPSS</a>
<p class=posts><a href=https://chem-net.blogspot.com/2013/01/statistics-frequency-distributions.html>Statistics – Frequency Distributions, Normal Distribution, z-score s</a>
<p class=posts></div><hr><div><p class=titles><strong><u>References</u></strong><ol><li>D.B. Hibbert, J.J. Gooding, "Data Analysis for Chemistry", Oxford Univ. Press, 2005<li>J.C. Miller and J.N Miller, “Statistics for Analytical Chemistry”, Ellis Horwood Prentice Hall, 2008<li>Steven S. Zumdahl, “Chemical Principles” 6th Edition, Houghton Mifflin Company, 2009<li>D. Harvey, “Modern Analytical Chemistry”, McGraw-Hill Companies Inc., 2000<li>R.D. Brown, “Introduction to Chemical Analysis”, McGraw-Hill Companies Inc, 1982<li>S.L.R. Ellison, V.J. Barwick, T.J.D. Farrant, “Practical Statistics for the Analytical Scientist”, 2nd Edition, Royal Society of Chemistry, 2009<li>A. Field, “Discovering Statistics using SPSS” , Sage Publications Ltd., 2005</ol></div><hr><div><p class=titles><strong><u>Key Terms</u></strong></div>
<p><strong><u>comparing several means</u></strong>, <strong><u>analysis of variance</u></strong><strong>,<u>post hoc tests</u></strong><strong>,</strong><strong> </strong><strong><u>ANOVA,</u></strong> <strong><u>t-tests,</u></strong><hr>K.G.K. (Quality Editions)http://www.blogger.com/profile/18164345508953392426noreply@blogger.com0tag:blogger.com,1999:blog-69387733388315341.post-69370552121813673552017-03-29T21:17:00.000+03:002017-03-29T21:17:21.959+03:00Ionic Radius Periodic Table of the Elements<!doctype html>
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Relevant Posts
Electronegativities Periodic Table of the Elements
References
CRC Handbook of Chemistry and Physics, 52nd edition, The Chemical Rubber Co., (1971)
David W. Oxtoby, H.P. Gillis, Alan Campion, “Principles of Modern Chemistry”, Sixth Edition, Thomson Brooks/Cole, 2008
Steven S. Zumdahl, “Chemical Principles” 6th Edition, Houghton Mifflin Company, 2009
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<h1>Periodic Table with Ionic Radius</h1></div>
<p> </p>
<div>
<p><strong>Ion size</strong> plays an important role in determining the structure and stability of ionic solids, the properties of ions in aqueous solution, and the biological effects of ions. As with atoms, it is impossible to define precisely the <strong>sizes of ions</strong>. <strong>Ionic radii</strong> are determined from the measured distances between ion centers in ionic compounds. A <strong>table of ionic radii</strong> is given below.</p>
<p> </p>
</div>
<div></div>
<div></div>
<div></div>
<table class="center" id="table_title">
<tbody>
<tr>
<th> Table 1: Periodic Table with Ionic Radii (Å) of the elements</th>
</tr>
</tbody>
</table>
<table class="center" id="table_1">
<tbody>
<tr>
<td style="width: px ;background-color:#F6BD9B;">1</td>
<td style="width: 35px ; background-color:#F6BD9B;">2</td>
<td style="width: 105px; background-color:#F6BD9B">3</td>
<td style="width: 35px; background-color:#F6BD9B">4</td>
<td style="width: 105px; background-color:#F6BD9B">5</td>
<td style="width: 105px ;background-color:#F6BD9B;">6</td>
<td style="width: 105px ; background-color:#F6BD9B;">7</td>
</tr>
<tr>
<td><p class="posts">H</p>
<p class="formula">1.46</p></td>
<td><p class="posts"> </p></td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
</tr>
<tr>
<th><p class="posts">Li</p>
<p class="formula">0.68</p></th>
<th><p class="posts">Be</p>
<p class="formula">0.31</p></th>
<th> </th>
<th> </th>
<th> </th>
<th><p class="posts"> </p></th>
<th><p class="posts"> </p></th>
</tr>
<tr>
<td><p class="posts">Na</p>
<p class="formula">0.98</p></td>
<td><p class="posts">Mg</p>
<p class="formula">0.66</p></td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
</tr>
<tr>
<th><p class="posts">K</p>
<p class="formula">1.33</p></th>
<th><p class="posts">Ca</p>
<p class="formula">0.99</p></th>
<th><p class="posts">Sc</p>
<p class="formula">0.81</p></th>
<th><p class="posts">Ti</p>
<p class="formula">0.68</p></th>
<th><p class="posts"> </p>
<p class="posts"> </p>
<p class="posts"> </p>
<p class="posts"> </p>
<p class="posts">V</p>
<p class="formula">0.59 (+5)</p>
<p class="formula">0.63 (+4)</p>
<p class="formula">0.74 (+3)</p>
<p class="formula">0.88 (+2)</p>
<p class="formula"> </p></th>
<th><p class="posts"> </p>
<p class="posts">Cr</p>
<p class="formula">0.63 (+3)</p>
<p class="formula">0.89 (+2)</p></th>
<th><p class="posts">Mn</p>
<p class="formula">0.80 (+2)</p></th>
</tr>
<tr>
<td><p class="posts">Rb</p>
<p class="formula">1.48</p></td>
<td><p class="posts">Sr</p>
<p class="formula">1.13</p></td>
<td><p class="posts">Y</p>
<p class="formula">0.93</p></td>
<td><p class="posts">Zr</p>
<p class="formula">0.80</p></td>
<td><p class="posts"> </p>
<p class="posts">Nb</p>
<p class="formula">0.69 (+5)</p>
<p class="formula">0.74 (+4)</p></td>
<td><p class="posts"> </p>
<p class="posts">Mo</p>
<p class="formula">0.62 (+6)</p>
<p class="formula">0.70 (+4)</p></td>
<td><p class="posts">Tc</p>
<p class="formula"> </p></td>
</tr>
<tr>
<th><p class="posts">Cs</p>
<p class="formula">1.67</p></th>
<th><p class="posts">Ba</p>
<p class="formula">1.35</p></th>
<th><p class="posts">La</p>
<p class="formula">0.85 (+3)</p></th>
<th><p class="posts">Hf</p>
<p class="formula">0.78</p></th>
<th><p class="posts">Ta</p>
<p class="formula">0.68 (+5)</p></th>
<th><p class="posts"> </p>
<p class="posts">W</p>
<p class="formula">0.62 (+6)</p>
<p class="formula">0.70 (+4)</p></th>
<th><p class="posts"> </p>
<p class="posts">Re</p>
<p class="formula">0.56 (+7)</p>
<p class="formula">0.27 (+4)</p></th>
</tr>
<tr>
<td><p class="posts">Fr</p>
<p class="formula">˜1.8</p></td>
<td><p class="posts">Ra</p>
<p class="formula">1.43</p></td>
<td><p class="posts">Ac</p>
<p class="formula"> </p></td>
<td><p class="posts">Th</p>
<p class="formula"> </p></td>
<td><p class="posts">Pa</p>
<p class="formula"> </p></td>
<td><p class="posts">U</p>
<p class="formula"> </p></td>
<td><p class="posts">Np</p>
<p class="formula"> </p></td>
</tr>
</tbody>
</table>
<p> </p>
<table width="364" class="center" id="table_title">
<tbody>
<tr>
<th width="536"> Table 1 (continued...)</th>
</tr>
</tbody>
</table>
<table class="center" id="table_1">
<tbody>
<tr>
<td style="width: px ;background-color:#F6BD9B;"> </td>
<td style="width: 98px; background-color:#F6BD9B">8</td>
<td style="width: 98px; background-color:#F6BD9B">9</td>
<td style="width: 98px; background-color:#F6BD9B">10</td>
<td style="width: 98px ;background-color:#F6BD9B;">11</td>
<td style="width: 98px ; background-color:#F6BD9B;">12</td>
</tr>
<tr>
<th> </th>
<th><p class="posts"> </p>
<p class="posts">Fe</p>
<p class="formula">0.60 (+3)</p>
<p class="formula">0.72 (+2)</p></th>
<th><p class="posts"> </p>
<p class="posts">Co</p>
<p class="formula">0.63 (+3)</p>
<p class="formula">0.72 (+2)</p></th>
<th><p class="posts">Ni</p>
<p class="formula">0.69 (+2)</p></th>
<th><p class="posts"> </p>
<p class="posts">Cu</p>
<p class="formula">0.72 (+2)</p>
<p class="formula">0.96 (+1)</p></th>
<th><p class="posts">Zn</p>
<p class="formula">0.74 (+2)</p></th>
</tr>
<tr>
<td> </td>
<td><p class="posts">Ru</p>
<p class="formula">0.68 (+3)</p></td>
<td><p class="posts">Rh</p>
<p class="formula">0.68 (+3)</p></td>
<td><p class="posts"> </p>
<p class="posts">Pd</p>
<p class="formula">0.65 (+4)</p>
<p class="formula">0.80 (+2)</p></td>
<td><p class="posts"> </p>
<p class="posts">Ag</p>
<p class="formula">0.89 (+2)</p>
<p class="formula">1.26 (+1)</p></td>
<td><p class="posts"> </p>
<p class="posts">Cd</p>
<p class="formula">0.97 (+2)</p>
<p class="formula">1.14 (+1)</p></td>
</tr>
<tr>
<th> </th>
<th><p class="posts"> </p>
<p class="posts">Os</p>
<p class="formula">0.69 (+6)</p>
<p class="formula">0.88 (+4)</p></th>
<th><p class="posts">Ir</p>
<p class="formula">0.68 (+4)</p></th>
<th><p class="posts"> </p>
<p class="posts">Pt</p>
<p class="formula">0.65 (+4)</p>
<p class="formula">0.80 (+2)</p></th>
<th><p class="posts"> </p>
<p class="posts">Au</p>
<p class="formula">0.85 (+2)</p>
<p class="formula">1.37 (+1)</p></th>
<th><p class="posts"> </p>
<p class="posts">Hg</p>
<p class="formula">1.10 (+2)</p>
<p class="formula">1.27 (+1)</p></th>
</tr>
</tbody>
</table>
<p> </p>
<table width="364" class="center" id="table_title">
<tbody>
<tr>
<th width="536"> Table 1 (continued...)</th>
</tr>
</tbody>
</table>
<table class="center" id="table_1">
<tbody>
<tr>
<td style="width: 100px; background-color:#F6BD9B">13</td>
<td style="width: 100px; background-color:#F6BD9B">14</td>
<td style="width: 100px; background-color:#F6BD9B">15</td>
<td style="width: 100px; background-color:#F6BD9B">16</td>
<td style="width: 100px; background-color:#F6BD9B">17</td>
<td style="width: 100px; background-color:#F6BD9B">17</td>
</tr>
<tr>
<th><p class="posts">B</p>
<p class="formula">0.23 (+3)</p></th>
<th><p class="posts"> </p>
<p class="posts">C</p>
<p class="formula">0.15 (+4)</p>
<p class="formula">2.60 (-4)</p></th>
<th><p class="posts">N</p>
<p class="formula">1.71 (-3)</p></th>
<th><p class="posts">O</p>
<p class="formula">1.40 (-2)</p></th>
<th><p class="posts">F</p>
<p class="formula">1.33</p></th>
<th><p class="posts">He</p>
<p class="formula"> </p></th>
</tr>
<tr>
<td height="167"><p class="posts">Al</p>
<p class="formula">0.51 (+3)</p></td>
<td><p class="posts"> </p>
<p class="posts">Si</p>
<p class="formula">0.42 (+4)</p>
<p class="formula">2.71 (-4)</p></td>
<td><p class="posts"> </p>
<p class="posts">P</p>
<p class="formula">0.44 (+3) </p>
<p class="formula">2.12(-3)</p></td>
<td><p class="posts"> </p>
<p class="posts">S</p>
<p class="formula">0.29 (+6)</p>
<p class="formula">1.84 (-2)</p></td>
<td><p class="posts">Cl</p>
<p class="formula">1.81</p></td>
<td><p class="posts">Ne</p>
<p class="formula"> </p></td>
</tr>
<tr>
<th><p class="posts">Ga</p>
<p class="formula">0.62 (+3)</p></th>
<th><p class="posts"> </p>
<p class="posts">Ge</p>
<p class="formula">0.53 (+4)</p>
<p class="formula">0.73 (+2)</p></th>
<th><p class="posts"> </p>
<p class="posts"> </p>
<p class="posts">As</p>
<p class="formula">0.46 (+5)</p>
<p class="formula">0.58 (+3)</p>
<p class="formula">2.22 (-3)</p></th>
<th><p class="posts"> </p>
<p class="posts">Se</p>
<p class="formula">0.42 (+6)</p>
<p class="formula">1.98 (-2)</p></th>
<th><p class="posts">Br</p>
<p class="formula">1.96</p></th>
<th><p class="posts">Ar</p>
<p class="formula"> </p></th>
</tr>
<tr>
<td><p class="posts">In</p>
<p class="formula">0.81 (+3)</p></td>
<td><p class="posts"> </p>
<p class="posts">Sn</p>
<p class="formula">0.71(+4)</p>
<p class="formula">0.93 (+2)</p></td>
<td><p class="posts"> </p>
<p class="posts"> </p>
<p class="posts">Sb</p>
<p class="formula">0.62 (+5)</p>
<p class="formula">0.76 (+3)</p>
<p class="formula">2.45 (-3)</p></td>
<td><p class="posts"> </p>
<p class="posts">Te</p>
<p class="formula">0.56 (+6)</p>
<p class="formula">2.21 (-2)</p></td>
<td><p class="posts">I</p>
<p class="formula">2.20</p></td>
<td><p class="posts">Kr</p>
<p class="formula"> </p></td>
</tr>
<tr>
<th><p class="posts">Tl</p>
<p class="formula">0.95 (+3)</p></th>
<th><p class="posts"> </p>
<p class="posts">Pb </p>
<p class="formula">0.84 (+4)</p>
<p class="formula">1.20 (+2)</p></th>
<th><p class="posts">Bi</p>
<p class="formula">0.96 (+3)</p></th>
<th><p class="posts">Po</p>
<p class="formula">0.67 (+6)</p></th>
<th><p class="posts">At</p>
<p class="formula">˜2.27</p></th>
<th><p class="posts">Xe</p>
<p class="formula"> </p></th>
</tr>
<tr>
</tr>
</tbody>
</table>
<p> </p>
<hr>
<div><p class="titles"><strong><u>Relevant Posts</u></strong></p>
<p class="posts"><a href="https://chem-net.blogspot.com/2017/03/electronegativities-periodic-table-elements.html">Electronegativities Periodic Table of the Elements</a></p>
<p class="posts"> </p>
</div>
<hr>
<div><p class="titles"><strong><u>References</u></strong></p><ol>
<li>CRC Handbook of Chemistry and Physics, 52nd edition, The Chemical Rubber Co., (1971)</li>
<li>David W. Oxtoby, H.P. Gillis, Alan Campion, “Principles of Modern Chemistry”, Sixth Edition, Thomson Brooks/Cole, 2008</li>
<li>Steven S. Zumdahl, “Chemical Principles” 6th Edition, Houghton Mifflin Company, 2009</li>
</ol>
</div>
<hr>
<div><p class="titles"><strong><u>Key Terms</u></strong> </p></div>
<p><strong><u>ionic radius, </u></strong>, <strong><u>ionic size</u></strong><strong>, </strong><strong> <u>ionic radius table,</u></strong></p>
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K.G.K. (Quality Editions)http://www.blogger.com/profile/18164345508953392426noreply@blogger.com0tag:blogger.com,1999:blog-69387733388315341.post-57895159665142513012017-03-25T15:37:00.000+02:002017-03-25T15:37:44.077+02:00Ionization Energy Periodic Table of the Elements<!doctype html>
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<div class="breadcrumbs"><a href="https://chem-net.blogspot.com/">Home</a> > <a href="https://chem-net.blogspot.com/2016/12/chemical-news-interesting-chem-phys-index.html">Fundamental Physical Constants - Chemical - Physical - Thermochemical Data</a> > <a href="https://chem-net.blogspot.com/2017/03/electronegativities-periodic-table-elements.html">Electronegativities Periodic Table of the Elements</a> > <a href="https://chem-net.blogspot.com/2017/03/electron-affinities-periodic-table-elements.html">Electron Affinity Periodic Table of the Elements</a> > Ionization Energy Periodic Table of the Elements</div>
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Relevant Posts
Electronegativities Periodic Table of the Elements
References
CRC Handbook of Chemistry and Physics, 52nd edition, The Chemical Rubber Co., (1971)
David W. Oxtoby, H.P. Gillis, Alan Campion, “Principles of Modern Chemistry”, Sixth Edition, Thomson Brooks/Cole, 2008
Steven S. Zumdahl, “Chemical Principles” 6th Edition, Houghton Mifflin Company, 2009
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electron affinities, electronegativity difference, electron affinity, ionization energy,
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M (g) —› M+ (g) + e-
It is related to the atom's electronegativity and electron affinity. Tables of electronegativities and electron affinities were given in the posts entitled "Electronegativities Periodic Table of the Elements" and "Electron Affinities Periodic Table of the Elements". A table of first ionization energies of the elements is given below.
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<div>
<h1>Periodic Table with Ionization Energies</h1></div>
<p> </p>
<div>
<p>The <strong>ionization energy</strong> of an atom or ion is the minimum energy required to remove an electron from the ground state of the isolated gaseous atom or ion. The <strong>first ionization energy</strong>, I<sub>1</sub>, is the energy needed to remove the first electron from a neutral atom.</p>
<p class="formula">M (g) —› M<sup>+</sup> (g) + e<sup>-</sup></p>
<p>It is related to the atom's<strong> electronegativity </strong>and <strong>electron affinity</strong>. Tables of electronegativities and electron affinities were given in the posts entitled "<strong><a href="https://chem-net.blogspot.com/2017/03/electronegativities-periodic-table-elements.html" title="Periodic table with electronegativities">Electronegativities Periodic Table of the Elements</a></strong>" and "<a href="https://chem-net.blogspot.com/2017/03/electron-affinities-periodic-table-elements.html" title="Periodic table with electron affinities"><strong>Electron Affinities Periodic Table of the Elements</strong></a>". A <strong>table of first ionization energies of the elements</strong> is given below.</p>
<p> </p>
</div>
<div></div>
<div></div>
<div></div>
<table class="center" id="table_title">
<tbody>
<tr>
<th> Table 1: Periodic Table with Ionization Energies (kJ/mol) of gaseous atoms of the elements</th>
</tr>
</tbody>
</table>
<table class="center" id="table_1">
<tbody>
<tr>
<td style="width: 35px ;background-color:#F6BD9B;">1</td>
<td style="width: 35px ; background-color:#F6BD9B;">2</td>
<td style="width: 35px; background-color:#F6BD9B">3</td>
<td style="width: 35px; background-color:#F6BD9B">4</td>
<td style="width: 35px; background-color:#F6BD9B">5</td>
<td style="width: 35px ;background-color:#F6BD9B;">6</td>
<td style="width: 35px ; background-color:#F6BD9B;">7</td>
<td style="width: 35px; background-color:#F6BD9B">8</td>
<td style="width: 35px; background-color:#F6BD9B">9</td>
<td style="width: 35px; background-color:#F6BD9B">10</td>
<td style="width: 35px ;background-color:#F6BD9B;">11</td>
<td style="width: 35px ; background-color:#F6BD9B;">12</td>
</tr>
<tr>
<td><p class="posts">H</p>
<p class="formula">1312.00</p></td>
<td><p class="posts"> </p></td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
</tr>
<tr>
<th><p class="posts">Li</p>
<p class="formula">520.2</p></th>
<th><p class="posts">Be</p>
<p class="formula">899.4</p></th>
<th> </th>
<th> </th>
<th> </th>
<th><p class="posts"> </p></th>
<th><p class="posts"> </p></th>
<th> </th>
<th> </th>
<th> </th>
<th><p class="posts"> </p></th>
<th><p class="posts"> </p></th>
</tr>
<tr>
<td><p class="posts">Na</p>
<p class="formula">495.8</p></td>
<td><p class="posts">Mg</p>
<p class="formula">737.7</p></td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
</tr>
<tr>
<th><p class="posts">K</p>
<p class="formula">418.8</p></th>
<th><p class="posts">Ca</p>
<p class="formula">589.8</p></th>
<th><p class="posts">Sc</p>
<p class="formula">631</p></th>
<th><p class="posts">Ti</p>
<p class="formula">658</p></th>
<th><p class="posts">V</p>
<p class="formula">650</p></th>
<th><p class="posts">Cr</p>
<p class="formula">652.8</p></th>
<th><p class="posts">Mn</p>
<p class="formula">717.4</p></th>
<th><p class="posts">Fe</p>
<p class="formula">759.3</p></th>
<th><p class="posts">Co</p>
<p class="formula">758</p></th>
<th><p class="posts">Ni</p>
<p class="formula">736.7</p></th>
<th><p class="posts">Cu</p>
<p class="formula">745.4</p></th>
<th><p class="posts">Zn</p>
<p class="formula">906.4</p></th>
</tr>
<tr>
<td><p class="posts">Rb</p>
<p class="formula">403.0</p></td>
<td><p class="posts">Sr</p>
<p class="formula">549.5</p></td>
<td><p class="posts">Y</p>
<p class="formula">616</p></td>
<td><p class="posts">Zr</p>
<p class="formula">660</p></td>
<td><p class="posts">Nb</p>
<p class="formula">664</p></td>
<td><p class="posts">Mo</p>
<p class="formula">684.9</p></td>
<td><p class="posts">Tc</p>
<p class="formula">702</p></td>
<td><p class="posts">Ru</p>
<p class="formula">711</p></td>
<td><p class="posts">Rh</p>
<p class="formula">720</p></td>
<td><p class="posts">Pd</p>
<p class="formula">805</p></td>
<td><p class="posts">Ag</p>
<p class="formula">731.0</p></td>
<td><p class="posts">Cd</p>
<p class="formula">867.7</p></td>
</tr>
<tr>
<th><p class="posts">Cs</p>
<p class="formula">375.7</p></th>
<th><p class="posts">Ba</p>
<p class="formula">502.9</p></th>
<th><p class="posts">La</p>
<p class="formula">523.5</p></th>
<th><p class="posts">Hf</p>
<p class="formula">654</p></th>
<th><p class="posts">Ta</p>
<p class="formula">761</p></th>
<th><p class="posts">W</p>
<p class="formula">770</p></th>
<th><p class="posts">Re</p>
<p class="formula">760</p></th>
<th><p class="posts">Os</p>
<p class="formula">840</p></th>
<th><p class="posts">Ir</p>
<p class="formula">880</p></th>
<th><p class="posts">Pt</p>
<p class="formula">868</p></th>
<th><p class="posts">Au</p>
<p class="formula">890.1</p></th>
<th><p class="posts">Hg</p>
<p class="formula">1007.0</p></th>
</tr>
<tr>
<td><p class="posts">Fr</p>
<p class="formula">˜400</p></td>
<td><p class="posts">Ra</p>
<p class="formula"> </p></td>
<td><p class="posts">Ac</p>
<p class="formula"> </p></td>
<td><p class="posts">Th</p>
<p class="formula"> </p></td>
<td><p class="posts">Pa</p>
<p class="formula"> </p></td>
<td><p class="posts">U</p>
<p class="formula"> </p></td>
<td><p class="posts">Np</p>
<p class="formula"> </p></td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
</tr>
<tr>
</tr>
</tbody>
</table>
<p> </p>
<table width="364" class="center" id="table_title">
<tbody>
<tr>
<th width="536"> Table 1 (continued...)</th>
</tr>
</tbody>
</table>
<table class="center" id="table_1">
<tbody>
<tr>
<td style="width: 35px; background-color:#F6BD9B">13</td>
<td style="width: 35px; background-color:#F6BD9B">14</td>
<td style="width: 35px; background-color:#F6BD9B">15</td>
<td style="width: 35px; background-color:#F6BD9B">16</td>
<td style="width: 35px; background-color:#F6BD9B">17</td>
<td style="width: 35px; background-color:#F6BD9B">17</td>
</tr>
<tr>
<th><p class="posts">B</p>
<p class="formula">800.6</p></th>
<th><p class="posts">C</p>
<p class="formula">1086.4</p></th>
<th><p class="posts">N</p>
<p class="formula">1402.3</p></th>
<th><p class="posts">O</p>
<p class="formula">140.98</p></th>
<th><p class="posts">F</p>
<p class="formula">1681.0</p></th>
<th><p class="posts">He</p>
<p class="formula">2372.3</p></th>
</tr>
<tr>
<td><p class="posts">Al</p>
<p class="formula">577.6</p></td>
<td><p class="posts">Si</p>
<p class="formula">786.4</p></td>
<td><p class="posts">P</p>
<p class="formula">1011.7</p></td>
<td><p class="posts">S</p>
<p class="formula">200.41</p></td>
<td><p class="posts">Cl</p>
<p class="formula">1251.1</p></td>
<td><p class="posts">Ne</p>
<p class="formula">2080.6</p></td>
</tr>
<tr>
<th><p class="posts">Ga</p>
<p class="formula">578.8</p></th>
<th><p class="posts">Ge</p>
<p class="formula">762.2</p></th>
<th><p class="posts">As</p>
<p class="formula">947</p></th>
<th><p class="posts">Se</p>
<p class="formula">194.97</p></th>
<th><p class="posts">Br</p>
<p class="formula">1139.9</p></th>
<th><p class="posts">Ar</p>
<p class="formula">1520.5</p></th>
</tr>
<tr>
<td><p class="posts">In</p>
<p class="formula">558.3</p></td>
<td><p class="posts">Sn</p>
<p class="formula">708.6</p></td>
<td><p class="posts">Sb</p>
<p class="formula">833.7</p></td>
<td><p class="posts">Te</p>
<p class="formula">190.15</p></td>
<td><p class="posts">I</p>
<p class="formula">1008.4</p></td>
<td><p class="posts">Kr</p>
<p class="formula">1350.7</p></td>
</tr>
<tr>
<th><p class="posts">Tl</p>
<p class="formula">589.3</p></th>
<th><p class="posts">Pb</p>
<p class="formula">715.5</p></th>
<th><p class="posts">Bi</p>
<p class="formula">703.3</p></th>
<th><p class="posts">Po</p>
<p class="formula">˜180</p></th>
<th><p class="posts">At</p>
<p class="formula">˜930</p></th>
<th><p class="posts">Xe</p>
<p class="formula">1170.4</p></th>
</tr>
<tr>
</tr>
</tbody>
</table>
<p> </p>
<hr>
<div><p class="titles"><strong><u>Relevant Posts</u></strong></p>
<p class="posts"><a href="https://chem-net.blogspot.com/2017/03/electronegativities-periodic-table-elements.html">Electronegativities Periodic Table of the Elements</a></p>
<p class="posts"> </p>
</div>
<hr>
<div><p class="titles"><strong><u>References</u></strong></p><ol>
<li>CRC Handbook of Chemistry and Physics, 52nd edition, The Chemical Rubber Co., (1971)</li>
<li>David W. Oxtoby, H.P. Gillis, Alan Campion, “Principles of Modern Chemistry”, Sixth Edition, Thomson Brooks/Cole, 2008</li>
<li>Steven S. Zumdahl, “Chemical Principles” 6th Edition, Houghton Mifflin Company, 2009</li>
</ol>
</div>
<hr>
<div><p class="titles"><strong><u>Key Terms</u></strong> </p></div>
<p><strong><u>electron affinities, electronegativity difference</u></strong>, <strong><u>electron affinity</u></strong><strong>, </strong><strong> <u>ionization energy,</u></strong></p>
<hr>
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K.G.K. (Quality Editions)http://www.blogger.com/profile/18164345508953392426noreply@blogger.com0tag:blogger.com,1999:blog-69387733388315341.post-50845695635150889082017-03-23T20:41:00.000+02:002017-03-23T20:41:19.210+02:00Electron Affinities Periodic Table of the Elements<!doctype html>
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<div class="breadcrumbs"><a href="https://chem-net.blogspot.com/">Home</a> > <a href="https://chem-net.blogspot.com/2016/12/chemical-news-interesting-chem-phys-index.html">Fundamental Physical Constants - Chemical - Physical - Thermochemical Data</a> > <a href="https://chem-net.blogspot.com/2017/03/electronegativities-periodic-table-elements.html">Electronegativities Periodic Table of the Elements</a> > Electron Affinities Periodic Table of the Elements</div>
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<div>
<h1>Periodic Table with Electron Affinities</h1></div>
<p> </p>
<div>
<p>The <strong>electron affinity</strong> of an atom is the energy released when an electron is added to it. It is related to the atom's <strong>ionization energy</strong> and<strong> <a href="https://chem-net.blogspot.com/2017/03/electronegativities-periodic-table-elements.html" title="electronegativities periodic table of the elements">electronegativity</a></strong>. The basic difference between ionization energy and electron affinity is that ionization energy measures the ease with which an atom loses an electron, while electron affinity measures the ease with which an atom gains an electron.</p>
<p> </p>
</div>
<div></div>
<div></div>
<div></div>
<table class="center" id="table_title">
<tbody>
<tr>
<th> Table 1: Periodic Table with Electron Affinities (kJ/mol) of gaseous atoms of the elements</th>
</tr>
</tbody>
</table>
<table class="center" id="table_1">
<tbody>
<tr>
<td style="width: 35px ;background-color:#F6BD9B;">1</td>
<td style="width: 35px ; background-color:#F6BD9B;">2</td>
<td style="width: 35px; background-color:#F6BD9B">3</td>
<td style="width: 35px; background-color:#F6BD9B">4</td>
<td style="width: 35px; background-color:#F6BD9B">5</td>
<td style="width: 35px ;background-color:#F6BD9B;">6</td>
<td style="width: 35px ; background-color:#F6BD9B;">7</td>
<td style="width: 35px; background-color:#F6BD9B">8</td>
<td style="width: 35px; background-color:#F6BD9B">9</td>
<td style="width: 35px; background-color:#F6BD9B">10</td>
<td style="width: 35px ;background-color:#F6BD9B;">11</td>
<td style="width: 35px ; background-color:#F6BD9B;">12</td>
</tr>
<tr>
<td><p class="posts">H</p>
<p class="formula">72.77</p></td>
<td><p class="posts"> </p></td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
</tr>
<tr>
<th><p class="posts">Li</p>
<p class="formula">59.63</p></th>
<th><p class="posts">Be</p>
<p class="formula">< 0</p></th>
<th> </th>
<th> </th>
<th> </th>
<th><p class="posts"> </p></th>
<th><p class="posts"> </p></th>
<th> </th>
<th> </th>
<th> </th>
<th><p class="posts"> </p></th>
<th><p class="posts"> </p></th>
</tr>
<tr>
<td><p class="posts">Na</p>
<p class="formula">52.87</p></td>
<td><p class="posts">Mg</p>
<p class="formula">< 0</p></td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
</tr>
<tr>
<th><p class="posts">K</p>
<p class="formula">48.38</p></th>
<th><p class="posts">Ca</p>
<p class="formula">2.0</p></th>
<th><p class="posts">Sc</p>
<p class="formula">18.1</p></th>
<th><p class="posts">Ti</p>
<p class="formula">7.6</p></th>
<th><p class="posts">V</p>
<p class="formula">50.7</p></th>
<th><p class="posts">Cr</p>
<p class="formula">64.3</p></th>
<th><p class="posts">Mn</p>
<p class="formula">< 0</p></th>
<th><p class="posts">Fe</p>
<p class="formula">15.7</p></th>
<th><p class="posts">Co</p>
<p class="formula">63.8</p></th>
<th><p class="posts">Ni</p>
<p class="formula">111.5</p></th>
<th><p class="posts">Cu</p>
<p class="formula">118.5</p></th>
<th><p class="posts">Zn</p>
<p class="formula">< 0</p></th>
</tr>
<tr>
<td><p class="posts">Rb</p>
<p class="formula">46.88</p></td>
<td><p class="posts">Sr</p>
<p class="formula">4.6</p></td>
<td><p class="posts">Y</p>
<p class="formula">29.6</p></td>
<td><p class="posts">Zr</p>
<p class="formula">41.1</p></td>
<td><p class="posts">Nb</p>
<p class="formula">86.2</p></td>
<td><p class="posts">Mo</p>
<p class="formula">72.0</p></td>
<td><p class="posts">Tc</p>
<p class="formula">˜53</p></td>
<td><p class="posts">Ru</p>
<p class="formula">˜100</p></td>
<td><p class="posts">Rh</p>
<p class="formula">110</p></td>
<td><p class="posts">Pd</p>
<p class="formula">51.8</p></td>
<td><p class="posts">Ag</p>
<p class="formula">125.6</p></td>
<td><p class="posts">Cd</p>
<p class="formula">< 0</p></td>
</tr>
<tr>
<th><p class="posts">Cs</p>
<p class="formula">45.50</p></th>
<th><p class="posts">Ba</p>
<p class="formula">13.95</p></th>
<th><p class="posts">La</p>
<p class="formula">˜50</p></th>
<th><p class="posts">Hf</p>
<p class="formula">˜0</p></th>
<th><p class="posts">Ta</p>
<p class="formula">31.1</p></th>
<th><p class="posts">W</p>
<p class="formula">78.6</p></th>
<th><p class="posts">Re</p>
<p class="formula">˜14</p></th>
<th><p class="posts">Os</p>
<p class="formula">˜106</p></th>
<th><p class="posts">Ir</p>
<p class="formula">151</p></th>
<th><p class="posts">Pt</p>
<p class="formula">205.1</p></th>
<th><p class="posts">Au</p>
<p class="formula">222.7</p></th>
<th><p class="posts">Hg</p>
<p class="formula">< 0</p></th>
</tr>
<tr>
<td><p class="posts">Fr</p>
<p class="formula">44.00</p></td>
<td><p class="posts">Ra</p>
<p class="formula">> 0</p></td>
<td><p class="posts">Ac</p>
<p class="formula">1.1</p></td>
<td><p class="posts">Th</p>
<p class="formula">1.3</p></td>
<td><p class="posts">Pa</p>
<p class="formula"> </p></td>
<td><p class="posts">U</p>
<p class="formula"> </p></td>
<td><p class="posts">Np</p>
<p class="formula"> </p></td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
</tr>
<tr>
</tr>
</tbody>
</table>
<p> </p>
<table width="364" class="center" id="table_title">
<tbody>
<tr>
<th width="536"> Table 1 (continued...)</th>
</tr>
</tbody>
</table>
<table class="center" id="table_1">
<tbody>
<tr>
<td style="width: 35px; background-color:#F6BD9B">13</td>
<td style="width: 35px; background-color:#F6BD9B">14</td>
<td style="width: 35px; background-color:#F6BD9B">15</td>
<td style="width: 35px; background-color:#F6BD9B">16</td>
<td style="width: 35px; background-color:#F6BD9B">17</td>
</tr>
<tr>
<th><p class="posts">B</p>
<p class="formula">26.7</p></th>
<th><p class="posts">C</p>
<p class="formula">121.85</p></th>
<th><p class="posts">N</p>
<p class="formula">-7</p></th>
<th><p class="posts">O</p>
<p class="formula">140.98</p></th>
<th><p class="posts">F</p>
<p class="formula">328.0</p></th>
</tr>
<tr>
<td><p class="posts">Al</p>
<p class="formula">42.6</p></td>
<td><p class="posts">Si</p>
<p class="formula">133.6</p></td>
<td><p class="posts">P</p>
<p class="formula">72.03</p></td>
<td><p class="posts">S</p>
<p class="formula">200.41</p></td>
<td><p class="posts">Cl</p>
<p class="formula">349.0</p></td>
</tr>
<tr>
<th><p class="posts">Ga</p>
<p class="formula">29</p></th>
<th><p class="posts">Ge</p>
<p class="formula">˜120</p></th>
<th><p class="posts">As</p>
<p class="formula">˜80</p></th>
<th><p class="posts">Se</p>
<p class="formula">194.97</p></th>
<th><p class="posts">Br</p>
<p class="formula">324.7</p></th>
</tr>
<tr>
<td><p class="posts">In</p>
<p class="formula">29</p></td>
<td><p class="posts">Sn</p>
<p class="formula">˜120</p></td>
<td><p class="posts">Sb</p>
<p class="formula">103</p></td>
<td><p class="posts">Te</p>
<p class="formula">190.15</p></td>
<td><p class="posts">I</p>
<p class="formula">295.2</p></td>
</tr>
<tr>
<th><p class="posts">Tl</p>
<p class="formula">˜20</p></th>
<th><p class="posts">Pb</p>
<p class="formula">35.1</p></th>
<th><p class="posts">Bi</p>
<p class="formula">91.3</p></th>
<th><p class="posts">Po</p>
<p class="formula">˜180</p></th>
<th><p class="posts">At</p>
<p class="formula">˜270</p></th>
</tr>
<tr>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
</tr>
</tbody>
</table>
<p> </p>
<hr>
<div><p class="titles"><strong><u>Relevant Posts</u></strong></p>
<p class="posts"><a href="https://chem-net.blogspot.com/2017/03/electronegativities-periodic-table-elements.html">Electronegativities Periodic Table of the Elements</a></p>
<p class="posts"> </p>
</div>
<hr>
<div><p class="titles"><strong><u>References</u></strong></p><ol>
<li>CRC Handbook of Chemistry and Physics, 52nd edition, The Chemical Rubber Co., (1971)</li>
<li>David W. Oxtoby, H.P. Gillis, Alan Campion, “Principles of Modern Chemistry”, Sixth Edition, Thomson Brooks/Cole, 2008</li>
<li>Steven S. Zumdahl, “Chemical Principles” 6th Edition, Houghton Mifflin Company, 2009</li>
</ol>
</div>
<hr>
<div><p class="titles"><strong><u>Key Terms</u></strong> </p></div>
<p><strong><u>electron affinities, electronegativity difference</u></strong>, <strong><u>electron affinity</u></strong><strong>, </strong><strong> <u>ionization energy,</u></strong></p>
<hr>
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K.G.K. (Quality Editions)http://www.blogger.com/profile/18164345508953392426noreply@blogger.com0tag:blogger.com,1999:blog-69387733388315341.post-84807084601864080942017-03-22T21:22:00.000+02:002017-03-22T21:22:07.884+02:00Standard Enthalpies of Formation of Organic Compounds
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<div class="breadcrumbs"><a href="https://chem-net.blogspot.com/">Home</a> > <a href="https://chem-net.blogspot.com/2016/12/chemical-news-interesting-chem-phys-index.html">Fundamental Physical Constants - Chemical - Physical - Thermochemical Data</a> > <a href="https://chem-net.blogspot.com/2017/03/standard-enthalpies-formation-inorganic-compounds.html">Standard Enthalpies of Formation of Inorganic Compounds</a> > Standard Enthalpies of Formation of Organic Compounds</div>
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<div>
<h1>Standard Enthalpies of Formation of Organic Compounds</h1></div>
<p> </p>
<div>
<p>The <strong>standard enthalpy of formation ΔΗ°<sub>f</sub></strong></a> of a substance is the change in <strong>enthalpy</strong> for the reaction that forms 1 mol of the substance from its elements with all reactants and products at 1 atm pressure and usually 298.15 K. For any element in its most stable state at 298 K and 1 atm pressure, ΔΗ°<sub>f</sub> = 0. <a href="https://chem-net.blogspot.com/2017/03/standard-enthalpies-formation-inorganic-compounds.html" title="Standard enthalpies of formation of inorganic compounds"><strong>Standard enthalpies of formation of inorganic compounds</strong></a> were given in a previous post.</div>
<p> </p>
<table class="center" id="table_title">
<tbody>
<tr>
<th> <p>Table 1: Standard Molar Enthalpies of Formation ΔΗ°<sub>f</sub> at 25 °C (298.15K)</p></th>
</tr>
</tbody>
</table>
<table class="center" id="table_1">
<tbody>
<tr>
<td style="width: 190px ;background-color:#F6BD9B;">Substance</td>
<td style="width: 100px ; background-color:#F6BD9B;">Formula</td>
<td style="width: 100px; background-color:#F6BD9B">ΔΗ°<sub>f</sub> </td>
</tr>
<tr>
<th>Acetylene</th>
<th>C<sub>2</sub>H<sub>2</sub>(g)</th>
<th>226.7</th>
</tr>
<tr>
<td>Acetic Acid</td>
<td>CH<sub>3</sub>COOH(l)</td>
<td>-484.0</td>
</tr>
<tr>
<td>Acetaldehyde</td>
<td>CH<sub>3</sub>CHO(g)</td>
<td>-166.0</td>
</tr>
<tr>
<th>Benzene</th>
<th>C<sub>6</sub>H<sub>6</sub>(l)</th>
<th>49.0</th>
</tr>
<tr>
<td>Carbon Tetrachloride</td>
<td>CCl<sub>4</sub>(l)</td>
<td>-135.0</td>
</tr>
<tr>
<td>Diamond</td>
<td>C(s)</td>
<td>1.88</td>
</tr>
<tr>
<th>Ethane</th>
<th>C<sub>2</sub>H<sub>6</sub>(g)</th>
<th>-84.68</th>
</tr>
<tr>
<td>Ethanol</td>
<td>C<sub>2</sub>H<sub>5</sub>OH(l)</td>
<td>-277.7</td>
</tr>
<tr>
<th>Ethylene</th>
<th>C<sub>2</sub>H<sub>4</sub>(g)</th>
<th>52.30</th>
</tr>
<tr>
<tr>
<th>Ethylene Oxide</th>
<th>C<sub>2</sub>H<sub>4</sub>O(g)</th>
<th>-53.00</th>
</tr>
<tr>
<td>Formaldehyde</td>
<td>HCOOH(g)</td>
<td>-116</td>
</tr>
<tr>
<th>Formic Acid</th>
<th>C<sub>2</sub>H<sub>4</sub>(g)</th>
<th>-363</th>
</tr>
<tr>
<td>Glucose</td>
<td>C<sub>6</sub>H<sub>12</sub>O<sub>6</sub>(s)</td>
<td>-1273</td>
</tr>
<tr>
<th>Methane</th>
<th>CH<sub>4</sub>(g)</th>
<th>-74.80</th>
</tr>
<tr>
<td>Methanol</td>
<td>CH<sub>3</sub>OH(g)</td>
<td>-201</td>
</tr>
<tr>
<th>Propane</th>
<th>C<sub>3</sub>H<sub>8</sub>(g)</th>
<th>-103.85</th>
</tr>
<tr>
<td>Propene</td>
<td>C<sub>3</sub>H<sub>6</sub>(g)</td>
<td>20.90</td>
</tr>
<tr>
<th>Sucrose</th>
<th>C<sub>12</sub>H<sub>22</sub>O<sub>11</sub>(s)</th>
<th>-2221</th>
</tr>
</tbody>
</table>
<p> </p>
<hr>
<div><p class="titles"><strong><u>Relevant Posts</u></strong></p>
<p class="posts"><a href="https://chem-net.blogspot.com/2017/03/standard-enthalpies-formation-inorganic-compounds.html">Standard Enthalpies of Formation of Inorganic Compounds</a></p>
<p class="posts"> </p>
</div>
<hr>
<div><p class="titles"><strong><u>References</u></strong></p><ol>
<li>CRC Handbook of Chemistry and Physics, 52nd edition, The Chemical Rubber Co., (1971)</li>
<li>David W. Oxtoby, H.P. Gillis, Alan Campion, “Principles of Modern Chemistry”, Sixth Edition, Thomson Brooks/Cole, 2008</li>
<li>Steven S. Zumdahl, “Chemical Principles” 6th Edition, Houghton Mifflin Company, 2009</li>
</ol>
</div>
<hr>
<div><p class="titles"><strong><u>Key Terms</u></strong> </p></div>
<p><strong><u>standard enthalpies of formation</u></strong>, <strong><u>molar enthalpies of formation</u></strong><strong>, </strong><strong> <u>table of standard enthalpies of formation</u></strong> <strong> <u>,</u></strong></p>
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K.G.K. (Quality Editions)http://www.blogger.com/profile/18164345508953392426noreply@blogger.com0tag:blogger.com,1999:blog-69387733388315341.post-48412139398196532502017-03-21T20:47:00.000+02:002017-03-23T20:58:11.191+02:00Electronegativities Periodic Table of the Elements<!doctype html>
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<div class="breadcrumbs"><a href="https://chem-net.blogspot.com/">Home</a> > <a href="https://chem-net.blogspot.com/2016/12/chemical-news-interesting-chem-phys-index.html">Fundamental Physical Constants - Chemical - Physical - Thermochemical Data</a> > Periodic Table with Electronegativities</div>
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<meta itemprop="description" content="The Pauling electonegativity values of the elements are given in this post. Electronegativity is defined as the ability of an atom in a molecule to attract electrons to itself."/>
<meta itemprop="keywords" content="electronegative elements, electronegativity series, trends in periodic table, periodic table of electronegativity,electronegativity of chlorine, electronegativity of nitrogen, electronegativity scale, chlorine electronegativity, periodic table with electronegativity values, electronegativity in periodic table, pauling electronegativity, most electropositive element, trends of periodic table, the most electronegative element, electropositive elements, electronegative element, electronegativity chart of elements, electronegativity trend periodic table, elements electronegativity,order of electronegativity, periodic table electronegativity trend, electronegativity list, electronegativity of magnesium, polarity table, electronegativity trend chart, electronegativity of atoms, electronegativity order, electronegativity table of elements, polarity periodic table,
chart of electronegativity, electronegativity of sodium, electronegativity of iron, polar elements, pauling scale of electronegativity, trends in electronegativity, bond polarity chart, trend of electronegativity, table of electronegativity values, sodium electronegativity, electronegativity numbers, lithium electronegativity, periodic trends electronegativity, polar bond examples, periodic table of elements electronegativity, most electronegative elements,"/>
<meta itemprop='articleBody' content="Electronegativity is defined as the ability of an atom in a molecule to attract electrons to itself. The electronegativity of an atom in a molecule is related to the atom's ionization energy and electron affinity, which are properties of isolated atoms. An atom with a high ionization energy and with a very negative electron affinity both resists having its electrons attracted away and attracts electrons from other atoms. It is highly electronegative.
Linus Pauling developed the first and most widely used electronegativity scale which is based on thermochemical data (Table 1). There is generally an increase in electronegativity from left to right across a row of the periodic table. Electonegativity decreases -with a few exceptions like the transition metals - with increasing atomic number or from up to down in a row of the periodic table.
Electronegativities are used to estimate whether a given bond is covalent, polar covalent, or ionic.
References
CRC Handbook of Chemistry and Physics, 52nd edition, The Chemical Rubber Co., (1971)
David W. Oxtoby, H.P. Gillis, Alan Campion, “Principles of Modern Chemistry”, Sixth Edition, Thomson Brooks/Cole, 2008
Steven S. Zumdahl, “Chemical Principles” 6th Edition, Houghton Mifflin Company, 2009
Key Terms
electronegativity, electronegativity difference, electron affinity, ionization energy, Pauling,
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<div>
<h1>Periodic Table with Electronegativities</h1></div>
<p> </p>
<div>
<p> <strong>Electronegativity</strong> is defined as the ability of an atom in a molecule to attract electrons to itself. The <strong>electronegativity</strong> of an atom in a molecule is related to the atom's <strong>ionization energy</strong> and <strong> <a href="https://chem-net.blogspot.com/2017/03/electron-affinities-periodic-table-elements.html" title="electronegativities periodic table of the elements">electron affinity</a></strong>, which are properties of isolated atoms. An atom with a high ionization energy and with a very negative electron affinity both resists having its electrons attracted away and attracts electrons from other atoms. <strong>It is highly electronegative.</strong></p>
<p><strong>Linus Pauling</strong> developed the first and most widely used electronegativity scale which is based on thermochemical data (Table 1). There is generally an increase in electronegativity from left to right across a row of the periodic table. Electonegativity decreases -with a few exceptions like the transition metals - with increasing atomic number or from up to down in a row of the periodic table.</p>
<p>Electronegativities are used to estimate whether a given bond is <strong>covalen</strong>t, <strong>polar covalent</strong>, or <strong>ionic</strong>.</p>
</div>
<p class="posts"> </p>
<table class="center" id="table_title">
<tbody>
<tr>
<th> Table 1: Periodic Table with Electronegativities</th>
</tr>
</tbody>
</table>
<table class="center" id="table_1">
<tbody>
<tr>
<td style="width: 35px ;background-color:#F6BD9B;">1</td>
<td style="width: 35px ; background-color:#F6BD9B;">2</td>
<td style="width: 35px; background-color:#F6BD9B">3</td>
<td style="width: 35px; background-color:#F6BD9B">4</td>
<td style="width: 35px; background-color:#F6BD9B">5</td>
<td style="width: 35px ;background-color:#F6BD9B;">6</td>
<td style="width: 35px ; background-color:#F6BD9B;">7</td>
<td style="width: 35px; background-color:#F6BD9B">8</td>
<td style="width: 35px; background-color:#F6BD9B">9</td>
<td style="width: 35px; background-color:#F6BD9B">10</td>
<td style="width: 35px ;background-color:#F6BD9B;">11</td>
<td style="width: 35px ; background-color:#F6BD9B;">12</td>
<td style="width: 35px; background-color:#F6BD9B">13</td>
<td style="width: 35px; background-color:#F6BD9B">14</td>
<td style="width: 35px; background-color:#F6BD9B">15</td>
<td style="width: 35px; background-color:#F6BD9B">16</td>
<td style="width: 35px; background-color:#F6BD9B">17</td>
</tr>
<tr>
<td><p class="posts">H</p>
<p class="formula">2.1</p></td>
<td><p class="posts"> </p></td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
</tr>
<tr>
<th><p class="posts">Li</p>
<p class="formula">1.0</p></th>
<th><p class="posts">Be</p>
<p class="formula">1.5</p></th>
<th> </th>
<th> </th>
<th> </th>
<th><p class="posts"> </p></th>
<th><p class="posts"> </p></th>
<th> </th>
<th> </th>
<th> </th>
<th><p class="posts"> </p></th>
<th><p class="posts"> </p></th>
<th><p class="posts">B</p>
<p class="formula">2.0</p></th>
<th><p class="posts">C</p>
<p class="formula">2.5</p></th>
<th><p class="posts">N</p>
<p class="formula">3.0</p></th>
<th><p class="posts">O</p>
<p class="formula">3.5</p></th>
<th><p class="posts">F</p>
<p class="formula">4.0</p></th>
</tr>
<tr>
<td><p class="posts">Na</p>
<p class="formula">0.9</p></td>
<td><p class="posts">Mg</p>
<p class="formula">1.2</p></td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td><p class="posts">Al</p>
<p class="formula">1.5</p></td>
<td><p class="posts">Si</p>
<p class="formula">1.8</p></td>
<td><p class="posts">P</p>
<p class="formula">2.1</p></td>
<td><p class="posts">S</p>
<p class="formula">2.5</p></td>
<td><p class="posts">Cl</p>
<p class="formula">3.0</p></td>
</tr>
<tr>
<th><p class="posts">K</p>
<p class="formula">0.8</p></th>
<th><p class="posts">Ca</p>
<p class="formula">1.0</p></th>
<th><p class="posts">Sc</p>
<p class="formula">1.3</p></th>
<th><p class="posts">Ti</p>
<p class="formula">1.5</p></th>
<th><p class="posts">V</p>
<p class="formula">1.6</p></th>
<th><p class="posts">Cr</p>
<p class="formula">1.6</p></th>
<th><p class="posts">Mn</p>
<p class="formula">1.5</p></th>
<th><p class="posts">Fe</p>
<p class="formula">1.8</p></th>
<th><p class="posts">Co</p>
<p class="formula">1.9</p></th>
<th><p class="posts">Ni</p>
<p class="formula">1.9</p></th>
<th><p class="posts">Cu</p>
<p class="formula">1.9</p></th>
<th><p class="posts">Zn</p>
<p class="formula">1.6</p></th>
<th><p class="posts">Ga</p>
<p class="formula">1.6</p></th>
<th><p class="posts">Ge</p>
<p class="formula">1.8</p></th>
<th><p class="posts">As</p>
<p class="formula">2.0</p></th>
<th><p class="posts">Se</p>
<p class="formula">2.4</p></th>
<th><p class="posts">Br</p>
<p class="formula">2.8</p></th>
</tr>
<tr>
<td><p class="posts">Rb</p>
<p class="formula">0.8</p></td>
<td><p class="posts">Sr</p>
<p class="formula">1.0</p></td>
<td><p class="posts">Y</p>
<p class="formula">1.2</p></td>
<td><p class="posts">Zr</p>
<p class="formula">1.4</p></td>
<td><p class="posts">Nb</p>
<p class="formula">1.6</p></td>
<td><p class="posts">Mo</p>
<p class="formula">1.8</p></td>
<td><p class="posts">Tc</p>
<p class="formula">1.9</p></td>
<td><p class="posts">Ru</p>
<p class="formula">2.2</p></td>
<td><p class="posts">Rh</p>
<p class="formula">2.2</p></td>
<td><p class="posts">Pd</p>
<p class="formula">2.2</p></td>
<td><p class="posts">Ag</p>
<p class="formula">1.9</p></td>
<td><p class="posts">Cd</p>
<p class="formula">1.7</p></td>
<td><p class="posts">In</p>
<p class="formula">1.7</p></td>
<td><p class="posts">Sn</p>
<p class="formula">1.8</p></td>
<td><p class="posts">Sb</p>
<p class="formula">1.9</p></td>
<td><p class="posts">Te</p>
<p class="formula">2.1</p></td>
<td><p class="posts">I</p>
<p class="formula">2.5</p></td>
</tr>
<tr>
<th><p class="posts">Cs</p>
<p class="formula">0.7</p></th>
<th><p class="posts">Ba</p>
<p class="formula">0.9</p></th>
<th><p class="posts">La</p>
<p class="formula">1.0</p></th>
<th><p class="posts">Hf</p>
<p class="formula">1.3</p></th>
<th><p class="posts">Ta</p>
<p class="formula">1.5</p></th>
<th><p class="posts">W</p>
<p class="formula">1.7</p></th>
<th><p class="posts">Re</p>
<p class="formula">1.9</p></th>
<th><p class="posts">Os</p>
<p class="formula">2.2</p></th>
<th><p class="posts">Ir</p>
<p class="formula">2.2</p></th>
<th><p class="posts">Pt</p>
<p class="formula">2.2</p></th>
<th><p class="posts">Au</p>
<p class="formula">2.4</p></th>
<th><p class="posts">Hg</p>
<p class="formula">1.9</p></th>
<th><p class="posts">Tl</p>
<p class="formula">1.8</p></th>
<th><p class="posts">Pb</p>
<p class="formula">1.9</p></th>
<th><p class="posts">Bi</p>
<p class="formula">1.9</p></th>
<th><p class="posts">Po</p>
<p class="formula">2.0</p></th>
<th><p class="posts">At</p>
<p class="formula">2.2</p></th>
</tr>
<tr>
<td><p class="posts">Fr</p>
<p class="formula">0.7</p></td>
<td><p class="posts">Ra</p>
<p class="formula">0.9</p></td>
<td><p class="posts">Ac</p>
<p class="formula">1.1</p></td>
<td><p class="posts">Th</p>
<p class="formula">1.3</p></td>
<td><p class="posts">Pa</p>
<p class="formula">1.4</p></td>
<td><p class="posts">U</p>
<p class="formula">1.4</p></td>
<td><p class="posts">Np</p>
<p class="formula">1.4</p></td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
<td> </td>
</tr>
<tr>
</tr>
</tbody>
</table>
<p> </p>
<table class="center" id="chemical_news_interesting_index2">
<caption>
</caption>
</table>
<hr>
<div><p class="titles"><strong><u>Relevant Posts</u></strong></p>
<p class="posts"><a href="https://chem-net.blogspot.com/2017/01/buffer-solutions-how-to-prepare-buffer-solutions.html">Buffer Solutions - How to prepare buffer solutions</a></p>
<p class="posts"> </p>
</div>
<hr>
<div><p class="titles"><strong><u>References</u></strong></p><ol>
<li>CRC Handbook of Chemistry and Physics, 52nd edition, The Chemical Rubber Co., (1971)</li>
<li>David W. Oxtoby, H.P. Gillis, Alan Campion, “Principles of Modern Chemistry”, Sixth Edition, Thomson Brooks/Cole, 2008</li>
<li>Steven S. Zumdahl, “Chemical Principles” 6th Edition, Houghton Mifflin Company, 2009</li>
</ol>
</div>
<hr>
<div><p class="titles"><strong><u>Key Terms</u></strong> </p></div>
<p><strong><u>electronegativity, electronegativity difference</u></strong>, <strong><u>electron affinity</u></strong><strong>, </strong><strong> <u>ionization energy,</u></strong> <strong> <u> Pauling,</u></strong></p>
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K.G.K. (Quality Editions)http://www.blogger.com/profile/18164345508953392426noreply@blogger.com0tag:blogger.com,1999:blog-69387733388315341.post-82344937918523956672017-03-13T20:39:00.000+02:002017-03-22T21:25:48.892+02:00Standard Enthalpies of Formation of Inorganic Compounds
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<div class="breadcrumbs"><a href="https://chem-net.blogspot.com/">Home</a> > <a href="https://chem-net.blogspot.com/2016/12/chemical-news-interesting-chem-phys-index.html">Fundamental Physical Constants - Chemical - Physical - Thermochemical Data</a> > <a href="https://chem-net.blogspot.com/2017/03/bond-dissociation-enthalpies.html"> Bond Dissociation Enthalpies </a>> Standard Enthalpies of Formation of Inorganic Compounds</div>
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<h1>Standard Enthalpies of Formation of Inorganic Compounds</h1></div>
<p> </p>
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<p>The <strong>standard enthalpy of formation ΔΗ°<sub>f</sub></strong></a> of a substance is the change in <strong>enthalpy</strong> for the reaction that forms 1 mol of the substance from its elements with all reactants and products at 1 atm pressure and usually 298.15 K. For any element in its most stable state at 298 K and 1 atm pressure, ΔΗ°<sub>f</sub> = 0.
<p>A <strong> bond dissociation enthalpies </strong> table can be found in the post <a href="https://chem-net.blogspot.com/2017/03/bond-dissociation-enthalpies.html"><strong>"Bond Dissociation Enthalpies</strong>"</a>.</p>
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<p> </p>
<table class="center" id="table_title">
<tbody>
<tr>
<th> <p>Table 1: Standard Molar Enthalpies of Formation ΔΗ°<sub>f</sub> at 25 °C (298.15K)</p></th>
</tr>
</tbody>
</table>
<table class="center" id="table_1">
<tbody>
<tr>
<td style="width: 190px ;background-color:#F6BD9B;">Substance</td>
<td style="width: 100px ; background-color:#F6BD9B;">Formula</td>
<td style="width: 100px; background-color:#F6BD9B">ΔΗ°<sub>f</sub> </td>
</tr>
<tr>
<th>Calcium carbonate</th>
<th>CaCO<sub>3</sub>(s)</th>
<th>-1207.1</th>
</tr>
<tr>
<td>Calcium oxide</td>
<td>CaO(s)</td>
<td>-635.5</td>
</tr>
<tr>
<th>Carbon dioxide</th>
<th>CO<sub>2</sub>(g)</th>
<th>-393.5</th>
</tr>
<tr>
<td>Carbon monoxide</td>
<td>CO(g)</td>
<td>-110.5</td>
</tr>
<tr>
<th>Hydrogen bromide</th>
<th>HBr(g)</th>
<th>-36.23</th>
</tr>
<tr>
<td>Hydrogen chloride</td>
<td>HCl(g)</td>
<td>-92.30</td>
</tr>
<tr>
<th>Hydrogen fluoride</th>
<th>HF(g)</th>
<th>-268.6</th>
</tr>
<tr>
<td>Hydrogen iodide</td>
<td>HI(g)</td>
<td>25.9</td>
</tr>
<tr>
<td>Magnesium carbonate</td>
<td>MgCO<sub>3</sub>(s)</td>
<td>-1111.69 </td>
</tr>
<tr>
<th>Nitrogen oxide</th>
<th>NO(g)</th>
<th>90.29</th>
</tr>
<tr>
<td>Nitrogen dioxide</td>
<td>NO<sub>2</sub>(g)</td>
<td>33.10</td>
</tr>
<tr>
<th>Nitric acid</th>
<th>HNO<sub>3</sub>(g)</th>
<th>-134.31</th>
</tr>
<tr>
<td>Sulfur dioxide</td>
<td>SO<sub>2</sub>(g)</td>
<td>-296.81</td>
</tr>
<tr>
<th>Sulfur trioxide</th>
<th>SO<sub>3</sub>(g)</th>
<th>-395.77 </th>
</tr>
<tr>
<td>Sulfuric acid</td>
<td>H<sub>2</sub>SO<sub>4</sub>(l)</td>
<td>-811.30</td>
</tr>
<tr>
<th>Silver chloride</th>
<th>AgCl(s)</th>
<th>-127.0</th>
</tr>
<tr>
<td>Sodium bicarbonate</td>
<td>NaHCO<sub>3</sub>(s)</td>
<td>-947.7</td>
</tr>
<tr>
<th>Sodium carbonate</th>
<th>NaCO<sub>3</sub>(s)</th>
<th>-1130.9</th>
</tr>
<tr>
<td>Sodium chloride</td>
<td>NaCl(s)</td>
<td>-410.9</td>
</tr>
<tr>
<td>Water</td>
<td>H2O (l)</td>
<td>-285.8</td>
</tr>
<tr>
<th>Water vapor</th>
<th>H2O (g)</th>
<th>-241.8</th>
</tr>
</tbody>
</table>
<p> </p>
<hr>
<div><p class="titles"><strong><u>Relevant Posts</u></strong></p>
<p class="posts"><a href="https://chem-net.blogspot.com/2017/03/bond-dissociation-enthalpies.html">Bond Dissociation Enthalpies</a></p>
<p class="posts"><a href="https://chem-net.blogspot.com/2017/03/standard-enthalpies-formation-organic-compounds.html">Standard Enthalpies of Formation of Organic Compounds</a></p>
<p class="posts"> </p>
</div>
<hr>
<div><p class="titles"><strong><u>References</u></strong></p><ol>
<li>CRC Handbook of Chemistry and Physics, 52nd edition, The Chemical Rubber Co., (1971)</li>
<li>David W. Oxtoby, H.P. Gillis, Alan Campion, “Principles of Modern Chemistry”, Sixth Edition, Thomson Brooks/Cole, 2008</li>
<li>Steven S. Zumdahl, “Chemical Principles” 6th Edition, Houghton Mifflin Company, 2009</li>
</ol>
</div>
<hr>
<div><p class="titles"><strong><u>Key Terms</u></strong> </p></div>
<p><strong><u>standard enthalpies of formation</u></strong>, <strong><u>molar enthalpies of formation</u></strong><strong>, </strong><strong> <u>table of standard enthalpies of formation</u></strong> <strong> <u>,</u></strong></p>
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Relevant Posts
Dissociation constants of acids and bases
References
CRC Handbook of Chemistry and Physics, 52nd edition, The Chemical Rubber Co., (1971)
David W. Oxtoby, H.P. Gillis, Alan Campion, “Principles of Modern Chemistry”, Sixth Edition, Thomson Brooks/Cole, 2008
Steven S. Zumdahl, “Chemical Principles” 6th Edition, Houghton Mifflin Company, 2009
Linus Pauling, "The Nature of the Chemical Bond", 3rd Edition, Cornell University Press, 1960
Key Terms
bond enthalpies, average bond enthalpy, bond lenghts,
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<div>
<h1>Bond Dissociation Enthalpies EH(A-B)</h1></div>
<p> </p>
<div>
<p>Average <strong>bond dissociation enthalpies</strong> (energies) for bonds A-B at 298 K and 1 atm pressure are given. The enthalpy of each bond is the mean bond dissociation enthalpy, or simply the <strong>bond enthalpy EH(A-B)</strong>. This is the average value of bond dissociation enthalpies of the A-B bond in a series of different compounds. </p>
<p>A <strong>standard enthalpies of formation </strong> table can be found in the post <a href="https://chem-net.blogspot.com/2016/12/chemical-news-interesting-chem-phys-index.html">"<strong>Standard Enthalpies of Formation of Inorganic Compounds</strong>".</a></p>
</div>
<p> </p>
<table width="611" class="center" id="table_title">
<tbody>
<tr>
<th width="569"> <p class="titles"><strong>Table 1: Single Bond Dissociation Enthalpies EH(A-B) kJ/mol</strong></p>
<p class="titles">T = 298.15K and P = 1 atm</p></th>
</tr>
</tbody>
</table>
<table class="center" id="table_1">
<tbody>
<tr>
<td width="219" style="width: 175px ;background-color:#F6BD9B;">Bond</td>
<td width="102" style="width: 100px ; background-color:#F6BD9B;">EH(A-B)</td>
<td width="115" style="width: 115px; background-color:#F6BD9B">Length (nm)</td>
</tr>
<tr>
<th>Br-Br</th>
<th>193</th>
<th>0.228</th>
</tr>
<tr>
<td>Br-H</td>
<td>366</td>
<td>0.141</td>
</tr>
<tr>
<th>Br-Cl</th>
<th>219</th>
<th> </th>
</tr>
<tr>
<td>Cl-Cl</td>
<td>243</td>
<td>0.199</td>
</tr>
<tr>
<th>Cl-H</th>
<th>432</th>
<th>0.127</th>
</tr>
<tr>
<td>Cl-N</td>
<td>200</td>
<td> </td>
</tr>
<tr>
<th>Cl-O</th>
<th>203</th>
<th> </th>
</tr>
<tr>
<td>Cl-F</td>
<td>254</td>
<td> </td>
</tr>
<tr>
<th>F-F</th>
<th>153</th>
<th>0.142</th>
</tr>
<tr>
<td>F-H</td>
<td>563</td>
<td>0.092</td>
</tr>
<tr>
<th>F-N</th>
<th>270</th>
<th> </th>
</tr>
<tr>
<td>F-O</td>
<td>185</td>
<td> </td>
</tr>
<tr>
<th>I-I</th>
<th>151</th>
<th>0.267</th>
</tr>
<tr>
<td>I-Cl</td>
<td>210</td>
<td> </td>
</tr>
<tr>
<th>I-C</th>
<th>240</th>
<th> </th>
</tr>
<tr>
<td>H-I</td>
<td>299</td>
<td>0.161</td>
</tr>
<tr>
<th>H-H</th>
<th>436</th>
<th>0.074</th>
</tr>
<tr>
<td>H-Si</td>
<td>318</td>
<td>0.148</td>
</tr>
<tr>
<th>H-N</th>
<th>391</th>
<th>0.101</th>
</tr>
<tr>
<td>H-P</td>
<td>321</td>
<td>0.144</td>
</tr>
<tr>
<th>H-O</th>
<th>463</th>
<th>0.096</th>
</tr>
<tr>
<td>H-S</td>
<td>399</td>
<td>0.134</td>
</tr>
<tr>
<th>H-C*</th>
<th>413</th>
<th>0.108</th>
</tr>
<tr>
<td>N-N</td>
<td>161</td>
<td>0.145</td>
</tr>
<tr>
<th>N=N</th>
<th>410</th>
<th>0.120</th>
</tr>
<tr>
<td>N≡N</td>
<td>945</td>
<td>0.110</td>
</tr>
<tr>
<th>O-O (in H<sub>2</sub>O<sub>2</sub>)</th>
<th>144</th>
<th>0.148</th>
</tr>
<tr>
<td>O-O (in O<sub>3</sub>)</td>
<td>302</td>
<td>0.128</td>
</tr>
<tr>
<th>O=O</th>
<th>497</th>
<th>0.121</th>
</tr>
<tr>
<td>O-Si</td>
<td>466</td>
<td>0.161</td>
</tr>
<tr>
<th>P-P (in P<sub>4</sub>)</th>
<th>198</th>
<th>0.221</th>
</tr>
<tr>
<td>P=P (in P2)</td>
<td>485</td>
<td>0.189</td>
</tr>
<tr>
<th>C-C*</th>
<th>348</th>
<th>0.154</th>
</tr>
<tr>
<td>C=C*</td>
<td>612</td>
<td>0.134</td>
</tr>
</tbody>
</table>
<p>* Average bond enthalpies</p>
<caption>
<hr>
<div><p class="titles"><strong><u>Relevant Posts</u></strong></p>
<p class="posts"><a href="https://chem-net.blogspot.com/2017/03/standard-enthalpies-formation-inorganic-compounds.html">Standard Enthalpies of Formation of Inorganic Compounds</a></p>
<p class="posts"> </p>
</div>
<hr>
<div><p class="titles"><strong><u>References</u></strong></p><ol>
<li>CRC Handbook of Chemistry and Physics, 52nd edition, The Chemical Rubber Co., (1971)</li>
<li>David W. Oxtoby, H.P. Gillis, Alan Campion, “Principles of Modern Chemistry”, Sixth Edition, Thomson Brooks/Cole, 2008</li>
<li>Steven S. Zumdahl, “Chemical Principles” 6th Edition, Houghton Mifflin Company, 2009</li>
<li>Linus Pauling, "The Nature of the Chemical Bond", 3rd Edition, Cornell University Press, 1960</li>
</ol>
</div>
<hr>
<div><p class="titles"><strong><u>Key Terms</u></strong> </p></div>
<p><strong><u>bond enthalpies</u></strong>, <strong><u>average bond enthalpy</u></strong><strong>, </strong><strong> <u>bond lenghts</u></strong>,</p>
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<meta itemprop='articleBody' content="Dissociation constants of acids and bases ka and kb respectively at 25 °C were given in a previous post. Solubility product ksp for a sparingly soluble salt M+X- in contact with its saturated solution is given by: ksp = [M+(aq)] * [X-(aq)]
The values given are at 298.15 K unless stated otherwise.
Relevant Posts
Dissociation constants of acids and bases
References
CRC Handbook of Chemistry and Physics, 52nd edition, The Chemical Rubber Co., (1971)
David W. Oxtoby, H.P. Gillis, Alan Campion, “Principles of Modern Chemistry”, Sixth Edition, Thomson Brooks/Cole, 2008
Steven S. Zumdahl, “Chemical Principles” 6th Edition, Houghton Mifflin Company, 2009
Key Terms
solubility product, solubility product constants, ksp ,
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<div>
<h1>Solubility-Product Constants for Compounds</h1></div>
<p> </p>
<div>
<p> <strong><a href="https://chem-net.blogspot.com/2017/03/dissociation-constants-acids-bases.html" title="Dissociation constants for acids and bases at 25C"><strong>Dissociation constants of acids and bases</strong></a> <strong>k<sub>a</sub></strong> and <strong>k<sub>b</sub></strong> respectively at 25 °C were given in a previous post. <strong>Solubility product k<sub>sp</sub></strong> for a sparingly soluble salt M<sup>+</sup>X<sup>-</sup> in contact with its saturated solution is given by: k<sub>sp</sub> = [M<sup>+</sup><sub>(aq)</sub>] * [X<sup>-</sup><sub>(aq)</sub>]</p>
<p>The values given are at 298.15 K unless stated otherwise.</p>
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<p> </p>
<table class="center" id="table_title">
<tbody>
<tr>
<th> Table 1: Solubility-Product Constants k<sub>sp</sub> for Compounds at 25 °C (298.15K)</th>
</tr>
</tbody>
</table>
<table class="center" id="table_1">
<tbody>
<tr>
<td style="width: 175px ;background-color:#F6BD9B;">Name</td>
<td style="width: 100px ; background-color:#F6BD9B;">Formula</td>
<td style="width: 100px; background-color:#F6BD9B">k<sub>sp</sub></td>
</tr>
<tr>
<th>Barium carbonate</th>
<th>BaCO<sub>3</sub></th>
<th>5.1 * 10<sup>-9</sup></th>
</tr>
<tr>
<td>Barium chromate</td>
<td>BaCrO<sub>4</sub></td>
<td>2.1 * 10<sup>-10</sup></td>
</tr>
<tr>
<th>Barium fluoride</th>
<th>BaF<sub>2</sub></th>
<th>1.7 * 10<sup>-6</sup></th>
</tr>
<tr>
<td>Barium oxalate</td>
<td>BaC<sub>2</sub>O<sub>4</sub></td>
<td>1.6 * 10<sup>-6</sup></td>
</tr>
<tr>
<th>Barium sulfate</th>
<th>BaSO<sub>4</sub></th>
<th>1.1 * 10<sup>-10</sup></th>
</tr>
<tr>
<td>Cadmium carbonate</td>
<td>CdCO<sub>3</sub></td>
<td>1.8 * 10<sup>-14</sup></td>
</tr>
<tr>
<th>Cadmium hydroxide</th>
<th>Cd(OH)<sub>2</sub></th>
<th>2.5 * 10<sup>-14</sup></th>
</tr>
<tr>
<td>Cadmium sulfide</td>
<td>CdS</td>
<td>8.0 * 10<sup>-27</sup></td>
</tr>
<tr>
<th>Calcium carbonate</th>
<th>CaCO<sub>3</sub></th>
<th>4.5 x 10<sup>-9</sup></th>
</tr>
<tr>
<td>Calcium chromate</td>
<td>CaCrO<sub>4</sub></td>
<td>7.1 * 10<sup>-4</sup></td>
</tr>
<tr>
<th>Calcium fluoride</th>
<th>CaF<sub>2</sub></th>
<th>3.9 * 10<sup>-11</sup></th>
</tr>
<tr>
<td>Calcium hydroxide</td>
<td>Ca(OH)<sub>2</sub></td>
<td>6.5 * 10<sup>-6</sup></td>
</tr>
<tr>
<th>Calcium phosphate</th>
<th>Ca<sub>3</sub>(PO<sub>4</sub>)<sub>2</sub></th>
<th>2.0 * 10<sup>-29</sup></th>
</tr>
<tr>
<td>Calcium sulfate</td>
<td>CaSO<sub>4</sub></td>
<td>2.4 * 10<sup>-5</sup></td>
</tr>
<tr>
<th>Chromium(III) hydroxide</th>
<th>Cr(OH)<sub>3</sub></th>
<th>1.6 x 10<sup>-30</sup></th>
</tr>
<tr>
<td>Cobalt(II) carbonate</td>
<td>CoCO<sub>3</sub></td>
<td>1.0 x 10<sup>-10</sup></td>
</tr>
<tr>
<th>Cobalt(II) hydroxide</th>
<th>Co(OH)<sub>2</sub></th>
<th>1.3 * 10<sup>-15</sup></th>
</tr>
<tr>
<td>Cobalt(II) sulfide</td>
<td>CoS</td>
<td>5 * 10<sup>-22</sup></td>
</tr>
<tr>
<th>Copper(I) bromide</th>
<th>CuBr</th>
<th>5.3 * 10<sup>-9</sup></th>
</tr>
<tr>
<td>Copper(II) carbonate</td>
<td>CuCO<sub>3</sub></td>
<td>2.3 * 10<sup>-10</sup></td>
</tr>
<tr>
<th>Copper(II) hydroxide</th>
<th>Cu(OH)<sub>2</sub></th>
<th>4.8 * 10<sup>-20</sup></th>
</tr>
<tr>
<td>Copper(II) sulfide</td>
<td>CuS</td>
<td>6 * 10<sup>-37</sup></td>
</tr>
<tr>
<th>Iron(II) carbonate</th>
<th>FeCO<sub>3</sub></th>
<th>2.1 * 10<sup>-11</sup></th>
</tr>
<tr>
<td>Iron(II) hydroxide</td>
<td>Fe(OH)<sub>2</sub></td>
<td>7.9 * 10<sup>-6</sup></td>
</tr>
<tr>
<th>Lanthanum fluoride</th>
<th>LaF<sub>3</sub></th>
<th>2.0 * 10<sup>-19</sup></th>
</tr>
<tr>
<td>Lanthanum iodate</td>
<td>La(IO<sub>3</sub>)<sub>3</sub></td>
<td>7.4 * 10<sup>-14</sup></td>
</tr>
<tr>
<th>Lead(II) carbonate</th>
<th>PbCO<sub>3</sub></th>
<th>7.4 * 10<sup>-14</sup></th>
</tr>
<tr>
<td>Lead(II) chloride</td>
<td>PbCl<sub>2</sub></td>
<td>1.7 * 10<sup>-5</sup></td>
</tr>
<tr>
<th>Lead(II) chromate</th>
<th>PbCrO<sub>4</sub></th>
<th>2.8 * 10<sup>-13</sup></th>
</tr>
<tr>
<td>Lead(II) fluoride </td>
<td>PbF<sub>2</sub></td>
<td>3.6 * 10<sup>-8</sup></td>
</tr>
<tr>
<th>Lead(II) sulfate</th>
<th>PbSO<sub>4</sub></th>
<th>6.3 * 10<sup>-7</sup></th>
</tr>
<tr>
<td>Lead(II) sulfide</td>
<td>PbS</td>
<td>3.0 * 10<sup>-28</sup></td>
</tr>
<tr>
<th>Magnesium hydroxide</th>
<th>Mg(OH)<sub>2</sub></th>
<th>1.8 * 10<sup>-11</sup></th>
</tr>
<tr>
<td>Magnesium carbonate</td>
<td>MgCO<sub>3</sub></td>
<td>3.5 * 10<sup>-8</sup></td>
</tr>
<tr>
<th>Magnesium oxalate</th>
<th>MgC<sub>2</sub>O<sub>4</sub></th>
<th>8.6 * 10<sup>-5</sup></th>
</tr>
<tr>
<td>Manganese(II) carbonate</td>
<td>MnCO<sub>3</sub></td>
<td>5.0 * 10<sup>-10</sup></td>
</tr>
<tr>
<th>Manganese hydroxide</th>
<th>Mn(OH)<sub>2</sub></th>
<th>1.6 * 10<sup>-13</sup></th>
</tr>
<tr>
<td>Manganese(II) sulfide</td>
<td>MnS</td>
<td>2.0 * 10<sup>-53</sup></td>
</tr>
<tr>
<th>Mercury(I) chloride</th>
<th>Hg<sub>2</sub>Cl<sub>2</sub></th>
<th>1.2 * 10<sup>-18</sup></th>
</tr>
<tr>
<td>Mercury(I) iodide</td>
<td>Hg<sub>2</sub>I<sub>2</sub></td>
<td>1.1 * 10<sup>-11</sup></td>
</tr>
<tr>
<th>Mercury(II) sulfide</th>
<th>HgS</th>
<th>2.0 * 10<sup>-53</sup></th>
</tr>
<tr>
<td>Nickel(II) carbonate</td>
<td>NiCO<sub>3</sub></td>
<td>1.3 * 10<sup>-7</sup></td>
</tr>
<tr>
<th>Nickel(II) hydroxide</th>
<th>Ni(OH)<sub>2</sub></th>
<th>6.0 * 10<sup>-16</sup></th>
</tr>
<tr>
<td>Nickel(II) sulfide</td>
<td>NiS</td>
<td>3.0 * 10<sup>-20</sup></td>
</tr>
<tr>
<th>Silver bromate</th>
<th>AgBrO<sub>3</sub></th>
<th>5.5 * 10<sup>-13</sup></th>
</tr>
<tr>
<td>Silver bromide</td>
<td>AgBr</td>
<td>5.0 * 10<sup>-13</sup></td>
</tr>
<tr>
<th>Silver carbonate</th>
<th>Ag<sub>2</sub>CO<sub>3</sub></th>
<th>8.1 * 10<sup>-12</sup></th>
</tr>
<tr>
<td>Silver chloride</td>
<td>AgCl</td>
<td>1.8 * 10<sup>-10</sup></td>
</tr>
<tr>
<th>Silver chromate</th>
<th>Ag<sub>2</sub>CrO<sub>4</sub></th>
<th>1.2 * 10<sup>-12</sup></th>
</tr>
<tr>
<td>Silver iodide</td>
<td>AgI</td>
<td>8.3 * 10<sup>-17</sup></td>
</tr>
<tr>
<th>Silver sulfate</th>
<th>Ag<sub>2</sub>SO<sub>4</sub></th>
<th>1.5 * 10<sup>-5</sup></th>
</tr>
<tr>
<td>Silver sulfide</td>
<td>Ag<sub>2</sub>S</td>
<td>6.0 * 10<sup>-51</sup></td>
</tr>
<tr>
<th>Strontium carbonate</th>
<th>SrCO<sub>3</sub></th>
<th>9.3 * 10<sup>-10</sup></th>
</tr>
<tr>
<td>Tin(II) sulfide</td>
<td>SnS</td>
<td>1.0 * 10<sup>-26</sup></td>
</tr>
<tr>
<th>Zinc carbonate</th>
<th>ZnCO<sub>3</sub></th>
<th>1.0 * 10<sup>-10</sup></th>
</tr>
<tr>
<td>Zinc hydroxide</td>
<td>Zn(OH)<sub>2</sub></td>
<td>3.0 * 10<sup>-16</sup></td>
</tr>
<tr>
<th>Zinc oxalate</th>
<th>ZnC<sub>2</sub>O<sub>4</sub></th>
<th>2.7 * 10<sup>-8</sup></th>
</tr>
<tr>
<td>Zinc sulfide</td>
<td>ZnS</td>
<td>2.0 * 10<sup>-25</sup></td>
</tr>
</tbody>
</table>
<p> </p>
<p> </p>
<hr>
<div><p class="titles"><strong><u>Relevant Posts</u></strong></p>
<p class="posts"><a href="https://chem-net.blogspot.com/2017/03/dissociation-constants-acids-bases.html">Dissociation constants of acids and bases </a></p>
<p class="posts"> </p>
</div>
<hr>
<div><p class="titles"><strong><u>References</u></strong></p><ol>
<li>CRC Handbook of Chemistry and Physics, 52nd edition, The Chemical Rubber Co., (1971)</li>
<li>David W. Oxtoby, H.P. Gillis, Alan Campion, “Principles of Modern Chemistry”, Sixth Edition, Thomson Brooks/Cole, 2008</li>
<li>Steven S. Zumdahl, “Chemical Principles” 6th Edition, Houghton Mifflin Company, 2009</li>
</ol>
</div>
<hr>
<div><p class="titles"><strong><u>Key Terms</u></strong> </p></div>
<p><strong><u>solubility product</u></strong>, <strong><u>solubility product constants</u></strong><strong>, </strong><strong> <u>ksp</u></strong> <strong> <u>,</u></strong></p>
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Relevant Posts
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References
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David W. Oxtoby, H.P. Gillis, Alan Campion, “Principles of Modern Chemistry”, Sixth Edition, Thomson Brooks/Cole, 2008
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<div>
<h1>Acid & Base Dissociation Constants</h1></div>
<p> </p>
<div>
<p> <strong>Dissociation constants</strong> of acids and bases <strong>k<sub>a</sub></strong> and <strong>k<sub>b</sub></strong> respectively at 25 °C are shown in Table 1 and Table 2 :</p>
</div>
<p> </p>
<table class="center" id="table_title">
<tbody>
<tr>
<th> Table 1: Dissociation Constants for Acids at 25 °C</th>
</tr>
</tbody>
</table>
<table class="center" id="table_1">
<tbody>
<tr>
<td style="width: 175px ;background-color:#F6BD9B;">Name</td>
<td style="width: 100px ; background-color:#F6BD9B;">Formula</td>
<td style="width: 100px; background-color:#F6BD9B">k<sub>a1</sub></td>
<td style="width: 95px; background-color:#F6BD9B">k<sub>a2</sub></td>
<td style="width: 95px; background-color:#F6BD9B">k<sub>a3</sub></td>
</tr>
<tr>
<th>Acetic acid</th>
<th>CH<sub>3</sub>COOH</th>
<th>1.8 * 10<sup>-3</sup></th>
<th> </th>
<th> </th>
</tr>
<tr>
<td>Arsenic acid</td>
<td>H<sub>3</sub>AsO<sub>4</sub></td>
<td>5.6 * 10<sup>-5</sup></td>
<td>1.0 * 10<sup>-7</sup></td>
<td>3.0 * 10<sup>-12</sup></td>
</tr>
<tr>
<th>Arsenous acid</th>
<th>H<sub>3</sub>AsO<sub>3</sub></th>
<th>5.1 * 10<sup>-10</sup></th>
<th> </th>
<th> </th>
</tr>
<tr>
<td>Ascorbic acid</td>
<td>H<sub>2</sub>C<sub>6</sub>H<sub>6</sub>O<sub>6</sub></td>
<td>8.0 * 10<sup>-5</sup></td>
<td>1.6 * 10<sup>-12</sup></td>
<td> </td>
</tr>
<tr>
<th>Benzoic acid</th>
<th>C<sub>6</sub>H<sub>5</sub>COOH</th>
<th>6.3 * 10<sup>-5</sup></th>
<th> </th>
<th> </th>
</tr>
<tr>
<td>Boric acid</td>
<td>H<sub>3</sub>BO<sub>3</sub></td>
<td>5.8 * 10<sup>-10</sup></td>
<td> </td>
<td> </td>
</tr>
<tr>
<th>Butanoic acid</th>
<th>C<sub>3</sub>H<sub>7</sub>COOH</th>
<th>1.5 * 10<sup>-5</sup></th>
<th> </th>
<th> </th>
</tr>
<tr>
<td>Carbonic acid</td>
<td>H<sub>2</sub>CO<sub>3</sub></td>
<td>4.3 * 10<sup>-7</sup></td>
<td>5.6 * 10<sup>-11</sup></td>
<td> </td>
</tr>
<tr>
<th>Chloroacetic acid</th>
<th>CH<sub>2</sub>ClCOOH</th>
<th>1.4 * 10<sup>-3</sup></th>
<th> </th>
<th> </th>
</tr>
<tr>
<td>Chlorous acid</td>
<td>HClO<sub>2</sub></td>
<td>1. 1 * 10<sup>-2</sup></td>
<td> </td>
<td> </td>
</tr>
<tr>
<th>Citric acid</th>
<th>HOOCC(OH)</th>
<th>7.4 * 10<sup>-4</sup></th>
<th>1.7 * 10<sup>-5</sup></th>
<th>4.0 * 10<sup>-7</sup></th>
</tr>
<tr>
<td>Cyanic acid</td>
<td>HCNO</td>
<td>3.5 * 10<sup>-4</sup></td>
<td> </td>
<td> </td>
</tr>
<tr>
<th>Formic acid</th>
<th>HCOOH</th>
<th>1.8 * 10<sup>-4</sup></th>
<th> </th>
<th> </th>
</tr>
<tr>
<td>Hydroazoic acid</td>
<td>HN<sub>3</sub></td>
<td>1.9 * 10<sup>-5</sup></td>
<td> </td>
<td> </td>
</tr>
<tr>
<th>Hydrocyanic acid </th>
<th>HCN</th>
<th>4.9 * 10<sup>-10</sup></th>
<th> </th>
<th> </th>
</tr>
<tr>
<td>Hydrofluoric acid</td>
<td>HF</td>
<td>6.8 * 10<sup>-4</sup></td>
<td> </td>
<td> </td>
</tr>
<tr>
<th>Hydrogen chromate</th>
<th>HCrO<sub>4</sub><sup>-</sup></th>
<th>3.0 * 10<sup>-7</sup></th>
<th> </th>
<th> </th>
</tr>
<tr>
<td>Hydrogen peroxide</td>
<td>H<sub>2</sub>O<sub>2</sub></td>
<td>2.4 * 10<sup>-12</sup></td>
<td> </td>
<td> </td>
</tr>
<tr>
<th>Hydrogen selenate</th>
<th>HSeO4-</th>
<th>2.2 * 10<sup>-2</sup></th>
<th> </th>
<th> </th>
</tr>
<tr>
<td>Hydrogen sulfide</td>
<td>H<sub>2</sub>S</td>
<td>9.5 * 10<sup>-8</sup></td>
<td>1.0 * 10<sup>-19</sup></td>
<td> </td>
</tr>
<tr>
<th>Hypobromous acid</th>
<th>HBrO</th>
<th>2.5 * 10<sup>-9</sup></th>
<th> </th>
<th> </th>
</tr>
<tr>
<td>Hypochlorous acid</td>
<td>HClO</td>
<td>3.0 * 10<sup>-8</sup></td>
<td> </td>
<td> </td>
</tr>
<tr>
<th>Hypoiodous acid</th>
<th>HIO</th>
<th>2.3 * 10<sup>-11</sup></th>
<th> </th>
<th> </th>
</tr>
<tr>
<td>Iodic acid</td>
<td>HIO<sub>3</sub></td>
<td>1.7 * 10<sup>-1</sup></td>
<td> </td>
<td> </td>
</tr>
<tr>
<th>Lactic acid</th>
<th>HC<sub>3</sub>H<sub>5</sub>O<sub>3</sub></th>
<th>1.4 * 10<sup>-4</sup></th>
<th> </th>
<th style="width: 10px"> </th>
</tr>
<tr>
<td>Malonic acid</td>
<td>H<sub>2</sub>C<sub>3</sub>H<sub>2</sub>O<sub>4</sub></td>
<td>1.5 * 10<sup>-3</sup></td>
<td>2.0 * 10<sup>-6</sup></td>
<td> </td>
</tr>
<tr>
<th>Nitrous acid</th>
<th>HNO<sub>2</sub></th>
<th>4.5 * 10<sup>-4</sup></th>
<th> </th>
<th> </th>
</tr>
<tr>
<td>Oxalic acid</td>
<td>(COOH)<sub>2</sub></td>
<td>5.9 * 10<sup>-2</sup></td>
<td>6.4 * 10<sup>-5</sup></td>
<td> </td>
</tr>
<tr>
<th>Phenol</th>
<th>C<sub>6</sub>H<sub>5</sub>OH</th>
<th>1.3 * 10<sup>-10</sup></th>
<th> </th>
<th> </th>
</tr>
<tr>
<td>Phosphoric acid</td>
<td>H<sub>3</sub>PO<sub>4</sub></td>
<td>7.5 * 10<sup>-3</sup></td>
<td>6.2 * 10<sup>-8</sup></td>
<td>4.2 * 10<sup>-13</sup></td>
</tr>
<tr>
<th>Propionic acid</th>
<th>C<sub>2</sub>H<sub>5</sub>COOH</th>
<th>1.3 * 10<sup>-5</sup></th>
<th> </th>
<th> </th>
</tr>
<tr>
<td>Pyrophosphoric acid</td>
<td>H<sub>4</sub>P<sub>2</sub>O<sub>7</sub></td>
<td>3.0 * 10<sup>-2</sup></td>
<td>4.4 * 10<sup>-3</sup></td>
<td>2.1 * 10<sup>-7</sup></td>
</tr>
<tr>
<th>Selenous acid</th>
<th>H<sub>2</sub>SeO<sub>3</sub></th>
<th>2.3 * 10<sup>-3</sup></th>
<th>5.3 * 10<sup>-9</sup></th>
<th> </th>
</tr>
<tr>
<td>Sulfuric acid</td>
<td>H<sub>2</sub>SO<sub>4</sub></td>
<td>Strong acid</td>
<td>1.2 * 10<sup>-2</sup></td>
<td> </td>
</tr>
<tr>
<th>Sulfurous acid</th>
<th>H<sub>2</sub>SO<sub>3</sub></th>
<th>1.7 * 10<sup>-2</sup></th>
<th>6.4 * 10<sup>-8</sup></th>
<th> </th>
</tr>
<tr>
<td>Tartaric acid</td>
<td>H<sub>2</sub>C<sub>4</sub>H<sub>4</sub>O<sub>6</sub></td>
<td>1.0 * 10<sup>-3</sup></td>
<td> </td>
<td> </td>
</tr>
</tbody>
</table>
<p> </p>
<table class="center" id="chemical_news_interesting_index2">
<caption>
</caption>
</table>
<table class="center" id="table_title">
<tbody>
<tr>
<th> Table 2: Dissociation Constants for Bases at 25 °C</th>
</tr>
</tbody>
</table>
<table class="center" id="table_1">
<tbody>
<tr>
<td style="width: 175px ;background-color:#F6BD9B;">Name</td>
<td style="width: 100px ; background-color:#F6BD9B;">Formula</td>
<td style="width: 100px; background-color:#F6BD9B">k<sub>b1</sub></td>
<td style="width: 95px; background-color:#F6BD9B">k<sub>b2</sub></td>
<td style="width: 95px; background-color:#F6BD9B">k<sub>b3</sub></td>
</tr>
<tr>
<th height="49">Ammonia</th>
<th>NH<sub>3</sub></th>
<th>1.8 * 10<sup>-5</sup></th>
<th> </th>
<th> </th>
</tr>
<tr>
<td>Aniline</td>
<td>C<sub>6</sub>H<sub>5</sub>NH<sub>2</sub></td>
<td>4.3 * 10<sup>-10</sup></td>
<td> </td>
<td> </td>
</tr>
<tr>
<th>Dimethylamine</th>
<th>(CH<sub>3</sub>)<sub>2</sub>NH</th>
<th>5.4 * 10<sup>-4</sup></th>
<th> </th>
<th> </th>
</tr>
<tr>
<td>Ethylamine</td>
<td>C<sub>2</sub>H<sub>5</sub>N<sub>2</sub></td>
<td>6.4 * 10<sup>-4</sup></td>
<td> </td>
<td> </td>
</tr>
<tr>
<th>Hydrazine</th>
<th>H<sub>2</sub>NNH<sub>2</sub></th>
<th>1.3 * 10<sup>-6</sup></th>
<th> </th>
<th> </th>
</tr>
<tr>
<td>Hydroxylamine</td>
<td>HONH<sub>2</sub></td>
<td>1.1 * 10<sup>-8</sup></td>
<td> </td>
<td> </td>
</tr>
<tr>
<th>Methylamine</th>
<th>CH<sub>3</sub>NH<sub>2</sub></th>
<th>4.4 * 10<sup>-4</sup></th>
<th> </th>
<th> </th>
</tr>
<tr>
<td>Pyridine</td>
<td>C<sub>5</sub>H<sub>5</sub>N</td>
<td>1.7 * 10<sup>-9</sup></td>
<td> </td>
<td> </td>
</tr>
</tbody>
</table>
<table class="center" id="chemical_news_interesting_index2">
<caption>
</caption>
</table>
<p> </p>
<hr>
<div><p class="titles"><strong><u>Relevant Posts</u></strong></p>
<p class="posts"><a href="https://chem-net.blogspot.com/2017/03/solubility-product-constants.html">Solubility Product Constants</a></p>
<p class="posts"> </p>
</div>
<hr>
<div><p class="titles"><strong><u>References</u></strong></p><ol>
<li>CRC Handbook of Chemistry and Physics, 52nd edition, The Chemical Rubber Co., (1971)</li>
<li>David W. Oxtoby, H.P. Gillis, Alan Campion, “Principles of Modern Chemistry”, Sixth Edition, Thomson Brooks/Cole, 2008</li>
<li>Steven S. Zumdahl, “Chemical Principles” 6th Edition, Houghton Mifflin Company, 2009</li>
</ol>
</div>
<hr>
<div><p class="titles"><strong><u>Key Terms</u></strong> </p></div>
<p><strong><u>acid dissociation contants, base dissociation constants</u></strong>, <strong><u>aqueous equilibrium constants</u></strong><strong>, </strong><strong> <u>acid,</u></strong> <strong> <u> base,</u></strong></p>
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STATISTICAL ANALYSIS OF EXPERIMENTAL DATA
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<td height="137"><div style="font-weight: bolder; background-color: #F7FD00;"><a href="https://chem-net.blogspot.com/2012/12/statistics-statistical-treatment-data.html">Statistics| Statistical Treatment| Data Analysis in Life Sciences</a></div></td>
<td><div style="font-weight: bolder; background-color: #F7FD00;"><a href="https://chem-net.blogspot.com/2012/12/calibration-and-outliers-statistical.html">Calibration and Outliers - Statistical Analysis</a></div></td>
<td>
<div style="font-weight: bolder; background-color: #F7FD00;"><a href=" https://chem-net.blogspot.com/2013/01/detection-of-single-outlierstatistical.html">Detection of a Single Outlier|Statistical Analysis|Quantitative Data</a></div></td>
</tr>
<tr>
<td><div style="font-weight: bolder; background-color: #F7FD00;"><a href="https://chem-net.blogspot.com/2013/01/detection-of-outliers-in-analytical.html">Detection of Outliers in Analytical Data – The Grubb’s Test</a></div></td>
<td><div style="font-weight: bolder; background-color: #F7FD00;"><a href="https://chem-net.blogspot.com/2015/12/dixons-q-test-outlier-calculator.html">Dixon's Q-test calculator - Detection of a single outlier</a></div></td>
<td>
<p> </p>
<p> </p>
<div style="font-weight: bolder; background-color: #F7FD00;"><a href="https://chem-net.blogspot.com/2015/08/one-sample-t-test-in-chemical-analysis.html">One-Sample T-Test in Chemical Analysis – Statistical Treatment of Analytical Data</a></div>
<p> </p>
<p> </p></td>
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<tr>
<td> <div style="font-weight: bolder; background-color: #F7FD00;"><a href="https://chem-net.blogspot.com/2013/01/statistics-analysis-of-data-confidence.html">Statistics| Analysis of Data – Confidence intervals</a></div></td>
<td><div style="font-weight: bolder; background-color: #F7FD00;"><a href="https://chem-net.blogspot.com/2013/01/statistics-frequency-distributions.html">Statistics – Frequency Distributions, Normal Distribution, z-scores </a></div></td>
<td><div style="font-weight: bolder; background-color: #F7FD00;"><a href="https://chem-net.blogspot.com/2015/12/testing-for-normality-ofdistribution.html">Testing for Normality of Distribution (the Kolmogorov-Smirnov test)</a></div></td>
</tr>
<tr>
<td> <div style="font-weight: bolder; background-color: #F7FD00;"><a href="https://chem-net.blogspot.com/2017/02/comparing-several-means-anova-spss.html">Comparing several Group Means by ANOVA using SPSS</a></div></td>
<td><div style="font-weight: bolder; background-color: #F7FD00;"><a href="https://chem-net.blogspot.com/2013/01/statistics-frequency-distributions.html"></a></div></td>
<td><div style="font-weight: bolder; background-color: #F7FD00;"><a href="https://chem-net.blogspot.com/2015/12/testing-for-normality-ofdistribution.html"></a></div></td>
</tr>
</tbody>
</table>
<p> </p>
<div>
<p>The major objectives of the application of <strong>statistics to Science and to chemical analysis</strong> are to determine the best value of a series of analytical results obtained with a <strong>particular sample</strong> and to give some indication of the reliability of the analysis.</p>
<p>As scientists, we are interested in finding results that apply to an entire population of people/ or material/ or chemical substance.</p>
<p>There is no doubt that it would be extremely expensive and impractical to analyze the entire population to draw conclusions about certain variables.<br>
Therefore, in most cases we collect data from a small subset of the population (known as sample) and use these data to infer things about the population as a whole. This small sample’s statistical measurements is the “model” for the entire population.</p>
</div>
<hr>
<p class="titles"><strong><u>References</u></strong></p>
<div>
<ol>
<li>
D. Harvey, “Modern Analytical Chemistry”, McGraw-Hill Companies Inc., (2000) </li>
<li>L.R. Ellison, V.J. Barwick, T.J.D. Farrant, “Practical Statistics for the Analytical Scientist”, 2nd Edition, Royal Society of Chemistry, (2009) </li>
<li>D.B. Hibbert, J.J. Gooding, "Data Analysis for Chemistry", Oxford Univ. Press, (2005)</li>
<li>J.C. Miller, J.N. Miller, "Statistics for Analytical Chemistry",3 Sub edition, Ellis Horwood Ltd, (1993)</li>
</ol>
</div>
<hr>
</body>K.G.K. (Quality Editions)http://www.blogger.com/profile/18164345508953392426noreply@blogger.com0tag:blogger.com,1999:blog-69387733388315341.post-63952473710660509572017-02-19T02:52:00.000+02:002017-02-19T20:05:01.340+02:00Comparing several Group Means by ANOVA using SPSS<!DOCTYPE html><html lang=en><meta charset=utf-8><title>Comparing several Group Means by ANOVA using SPSS</title><meta name="description" content="A statistical test for comparing more than two means is presented in this post. The so called one-way ANOVA (Analysis of variance test)is presented in this post since there is one factor in addition to the random error of the measurements that causes variation of the results. One-way ANOVA will answer the question: Is there a significant difference between the mean values (or levels), given that the means are calculated from a number of replicate measurements? It tests the hypothesis that all group means are equal. An ANOVA produces an F-statistic or F-ratio, which is similar to a t-test (t-statistic) in that it compares the amount of systematic variance in the data to the amount of unsystematic variance."><style>body div h1{font-family:Tahoma,"Times New Roman",Arial,Sans-serif;color:rgba(245,3,161,1);text-align:center}div ol li{font-family:Tahoma,"Times New Roman",Arial,Sans-serif;color:rgba(0,0,0,1);font-size:16px;text-align:justify;font-weight:400}div ul li{font-family:Tahoma,"Times New Roman",Arial,Sans-serif;font-size:16px;text-align:justify;color:rgba(0,81,244,1)}div strong u{text-shadow:0 0 rgba(247,253,0,1);background-color:rgba(247,253,0,1);font-family:Tahoma,"Times New Roman",Arial,Sans-serif;text-align:justify}p strong u{font-family:Tahoma,"Times New Roman",Arial,Sans-serif;text-align:center;text-shadow:0 0 rgba(247,253,0,1);background-color:rgba(247,253,0,1)}div p strong em{color:rgba(245,3,7,1);font-family:Tahoma,"Times New Roman",Arial,Sans-serif;text-align:center;text-shadow:0 0 rgba(245,3,7,1);background-color:rgba(247,253,0,1)}.formula{color:rgba(245,3,7,1);font-family:Tahoma,"Times New Roman",Arial,Sans-serif;font-weight:700;font-size:16px;text-align:center;text-shadow:0 0}.posts{font-family:Tahoma,"Times New Roman",Arial,Sans-serif;font-size:16px;text-align:center;text-shadow:0 0}body div p{color:rgba(0,0,0,1);font-family:Tahoma,"Times New Roman",Arial,Sans-serif;font-size:16px;text-align:justify;right:auto;font-style:normal;font-weight:400}.titles{font-family:Tahoma,"Times New Roman",Arial,Sans-serif;font-size:16px;text-align:center;text-shadow:0 0 rgba(247,253,0,1)}.imagelabel{font-family:Tahoma,"Times New Roman",Arial,Sans-serif;font-weight:700;font-size:12px;text-align:center;text-shadow:0 0 0;border-style:groove}body p img{border-style:groove;position:static;float:none;text-align:center;left:0;right:0;margin-right:30px}div p u{color:rgba(245,3,7,1)}img.center{display:block;margin-left:auto;margin-right:auto}.breadcrumbs{font-family:Tahoma,"Times New Roman",Arial,Sans-serif;font-size:10px;font-weight:700;color:rgba(255,102,0,1);text-align:justify;display:inline;margin-top:70px;margin-right:60px;margin-bottom:auto;margin-left:auto;text-shadow:0 0 rgba(247,253,0,1)}tbody tr td{border:0 solid #000}#table_inline_google_ad{float:left}#table_title{border:1px solid #000;font-family:Tahoma,"Times New Roman",Arial,Sans-serif;font-style:normal;font-weight:bolder;font-size:medium;text-align:center;border-collapse:separate;position:static;background-color:#f6bccc}table.center{margin-left:auto;margin-right:auto}#table_1{border:1px solid #000;font-family:Tahoma,"Times New Roman",Arial,Sans-serif;font-style:normal;font-weight:bolder;font-size:medium;text-align:center;border-collapse:separate;position:static;background-color:#f6bd9b}#table_1 tbody tr td{border:1px solid #000}#table_1 tbody th{border:1px solid #000;background-color:#e0c9ba}body,td,th{font-family:Baskerville,"Palatino Linotype",Palatino,"Century Schoolbook L","Times New Roman",serif;font-style:normal;font-weight:700;font-size:18px;color:#000}.titles1{font-family:Tahoma,"Times New Roman",Arial,Sans-serif;font-size:16px;text-align:center;text-shadow:0 0 rgba(247,253,0,1)}.titles1{font-family:Tahoma,"Times New Roman",Arial,Sans-serif;font-size:16px;text-align:center;text-shadow:0 0 rgba(247,253,0,1)}.formula1{color:rgba(245,3,7,1);font-family:Tahoma,"Times New Roman",Arial,Sans-serif;font-weight:700;font-size:16px;text-align:center;text-shadow:0 0}.formula1{color:rgba(245,3,7,1);font-family:Tahoma,"Times New Roman",Arial,Sans-serif;font-weight:700;font-size:16px;text-align:center;text-shadow:0 0}</style><script async src=https://pagead2.googlesyndication.com/pagead/js/adsbygoogle.js></script><script>(adsbygoogle=window.adsbygoogle||[]).push({google_ad_client:"ca-pub-6219154522782942",enable_page_level_ads:!0})</script><div class=breadcrumbs><a href=https://chem-net.blogspot.com/ >Home</a> > <a href=https://chem-net.blogspot.com/2013/01/statistics-frequency-distributions.html>Statistics – Frequency Distributions, Normal Distribution, z-scores</a> > <a href=https://chem-net.blogspot.com/2015/08/one-sample-t-test-in-chemical-analysis.html>One-Sample T-Test in Chemical Analysis – Statistical Treatment of Analytical Data</a> > <a href=https://chem-net.blogspot.com/2015/12/testing-for-normality-ofdistribution.html>Testing for Normality of Distribution (the Kolmogorov-Smirnov test)</a> > Comparing several Group Means by ANOVA using SPSS</div><p itemscope itemtype="https://schema.org/NewsArticle">
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<meta itemprop='articleBody' content="In a previous post entitled "One-Sample T-Test in Chemical Analysis – Statistical Treatment of Analytical Data" the statistical tests presented were limited to situations in which there were only up to two levels of the independent variable (i.e. up to two experimental groups, two experimental conditions). Methods were described for comparing two means to test whether they differ significantly. However, in analytical work there are often more than two means to be compared. Some situations encountered are:
comparing the mean results for the concentration of an analyte by several different methods
comparing the mean results obtained for the analysis of a sample by several different laboratories
comparing the mean concentration of a solute A in solution for samples stored under different conditions
comparing the mean results for the determination of an analyte from portions of a sample obtained at random (checking the purity of a sample)
Therefore, it is common in analytical work to run experiments in which there are three, four or even five levels of the independent variable (that can cause variation of the results in addition to random error of measurements) and in these cases the tests described in previous posts are inappropriate. Instead a technique called analysis of variance (ANOVA) is used. ANOVA is an extremely powerful statistical technique that has the advantage that it can be used to analyze situations in which there are several independent variables (or better several levels of the independent variable). In the examples given above levels of the independent variable are the different methods used, the different laboratories, the different conditions under which the solutions were stored.
The so called one-way ANOVA is presented in this post since there is one factor in addition to the random error of the measurements that causes variation of the results (methods, laboratories, storage conditions respectively). More complex situations in which there are two or more factors (i.e methods and laboratories, methods and storage conditions), possibly interacting with each other are going to be presented in another post.
When the one-way ANOVA test should be used?
One-way ANOVA should be used when there is only one factor being considered and replicate data from changing the level of that factor are available. One-way ANOVA will answer the question: Is there a significant difference between the mean values (or levels), given that the means are calculated from a number of replicate measurements? It tests the hypothesis that all group means are equal. An ANOVA produces an F-statistic or F-ratio, which is similar to a t-test (t-statistic) in that it compares the amount of systematic variance in the data to the amount of unsystematic variance.
Why not use several t-tests instead of ANOVA?
Imagine a situation in which there were three experimental conditions (Method 1, Method 2 and Method 3) and we were interested in comparing differences in the means of the results of these three methods. If we were to carry out t-tests on every pair of methods, then we would have to carry out three separate tests: one to compare means of Method 1 and 2, one to compare means of Method 1 and 3 and one of Method 2 and 3. Not only is this a lot of work but the chance of reaching a wrong conclusion increases. The correct way to analyse this sort of data is to use one-way ANOVA.
Results from statistical analysis have a certain value only if all relevant assumptions are met. For a one-way ANOVA these are:
Normality: The dependent variable is normally distributed within each population (ANOVA is a parametric test). Since most of the time we do not have a large amount of data it is difficult to prove any departure from normality. It has been shown, however, that even quite large deviations from normality do not affect the ANOVA test. ANOVA is a robust method with respect to violations of normality. If there is a large amount of data tests for normality can be used such as the Normal Q-Q plots, the Shapiro-Wilk test of normality, plotting histograms and skewness and kurtosis.
Homoscedasticity: The variance (spread) between groups (populations) is homogeneous (all populations have the same variance). If this is not the case (this happens often in chemical analysis) then the F-test can suggest a statistically significant difference where none is present. The best way to check for this is to plot the data. There are also a number of tests for heteroscedasity like Bartlett's test and Levene's test. Homoscedasticity not holding is less serious when the sample sizes are equal. It may be also overcome this type of problem in the data by transforming it by taking for example logarithms (logs)
Independent data: This often holds if each case (row of cells) represents a unique observation
If assumptions 1 and 2 seem seriously violated then the Kruskal-Wallis test can be used instead of ANOVA. This test is a non-parametric test and therefore does not require normally distributed data.
The principle of the one-way ANOVA test is more easily understood by means of the following example.
Example I.1
Figure I.1 shows the analytical results obtained regarding the weight of Au (in grams/ton) in a certified reference material X. Three different methods (Method 1, 2 and 3) were used for the determination and six replicate measurements were made in each case. Is there a significant difference in the means calculated by each method?
Before running an ANOVA test let us first plot our data using a histogram. The results in Fig. I.1 have been inserted in an SPSS spreadsheet. In SPSS access the main dialog box using Graphs, Legacy Dialogs, Histogram
The following histogram is obtained (Fig. I.2). A split histogram gives information regarding the three assumptions mentionned above.
Normality: All distributions look reasonably normal even though there is not a large amount of data. The dependent variable seems normally distributed within each population. It has been shown, however, that even quite large deviations from normality do not affect the ANOVA test.
Homoscedasticity: The two histograms - first and third - are roughly equally wide. The second seems to be wider due to a outlier. It seems as though the results have roughly equal variances over the three methods. As a rule of thumb variances are unequal when the larger variance is more than 4 times the smaller variance. This is not the case in this example. Levene's test is going to be used to prove that variances for the three methods are equal in a formal way.
Independent data: Data are independent since each case (row of cells) represents a unique observation
In SPSS access the main dialog box using Analyze, Compare Means, One-Way Anova (Fig. I.3) and select as Dependent List (variable): Analytical_Result_g and as Factor: Method. Press O.K. (Fig. I.4). The means of the analytical results obtained by Method 1, 2 and 3 (methods are a factor that may affect the means) are compared. The question that has to be answered is if the differences between these means are statistically significant or these mean values are the same.
he selection Options is pressed (Fig. I.4) and Descriptive Statistics, Homogeinity of Variance Test and Means Plot is checked in the one-way ANOVA SPSS dialog box and Continue is pressed (Fig. I.5).
After running the ANOVA test the following results are obtained (Fig. I.6):
A Descriptives table for the dependent variable Analytical_Result_g. Where N is the number of replicates by each method (N=6). The mean weights of Au are almost equal when Methods 1 and 3 were used - 1.85 and 1.87 respectively - and they differ from the mean of Method 2 which is 1.65. Our main research question is whether these means differ significantly for the three different methods.
A table for the test of Homogeinity of Variances (Levene's test). It checks whether the variances of the results obtained by the three methods differ significantly. If p smaller 0.05 then they differ significantly. In this case p = 0.387 greater than 0.05 and therefore the variances of the three means do not differ significantly. Therefore, the ANOVA test was the right choice.
An ANOVA table. Where the degrees of freedom df for Between Groups and Within Groups are given (2 and 15 respectively) and the F statistic F= 6.649. The p value denoted by Sig = 0.009 < 0.05 indicates that the three means differ significantly due to the different analytical methods.
Relevant Posts
Statistics – Frequency Distributions, Normal Distribution, z-scores
Testing for Normality of Distribution (the Kolmogorov-Smirnov test)
References
D.B. Hibbert, J.J. Gooding, "Data Analysis for Chemistry", Oxford Univ. Press, 2005
J.C. Miller and J.N Miller, “Statistics for Analytical Chemistry”, Ellis Horwood Prentice Hall, 2008
Steven S. Zumdahl, “Chemical Principles” 6th Edition, Houghton Mifflin Company, 2009
D. Harvey, “Modern Analytical Chemistry”, McGraw-Hill Companies Inc., 2000
R.D. Brown, “Introduction to Chemical Analysis”, McGraw-Hill Companies Inc, 1982
S.L.R. Ellison, V.J. Barwick, T.J.D. Farrant, “Practical Statistics for the Analytical Scientist”, 2nd Edition, Royal Society of Chemistry, 2009
A. Field, “Discovering Statistics using SPSS” , Sage Publications Ltd., 2005
Key Terms
comparing several means, analysis of variance, ANOVA, t-tests,
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</p><div><h1>Comparing of several Group Means by One-Way ANOVA using SPSS</h1></div><p><table id=table_inline_google_ad><tr><td><script async src=//pagead2.googlesyndication.com/pagead/js/adsbygoogle.js></script><ins class=adsbygoogle data-ad-client=ca-pub-6219154522782942 data-ad-slot=1762788140 style=display:inline-block;width:336px;height:280px></ins><script>(adsbygoogle=window.adsbygoogle||[]).push({})</script></table><div>
<p>In a previous post entitled <a href=https://chem-net.blogspot.com/2015/08/one-sample-t-test-in-chemical-analysis.html title="One-Sample T-Test in Chemical Analysis – Statistical Treatment of Analytical Data"><strong>"One-Sample T-Test in Chemical Analysis – Statistical Treatment of Analytical Data"</strong></a> the statistical tests presented were limited to situations in which there were only up to <strong>two levels of the independent variable</strong> (i.e. up to two experimental groups, two experimental conditions) and the data were normally distributed (<a href="https://chem-net.blogspot.com/2013/01/statistics-frequency-distributions.html" title="statistics - frequency distributions, normal distribution, histogram of normal distribution, z-scores"><strong>histogram of normal distribution</strong></a> was obtained by plotting data). Methods were described for comparing two means to test whether they differ significantly. However, in analytical work there are often more than two means to be compared. Some situations encountered are:
<div><ul><li>comparing the mean results for the concentration of an analyte by several different methods<li>comparing the mean results obtained for the analysis of a sample by several different laboratories<li>comparing the mean concentration of a solute A in solution for samples stored under different conditions<li>comparing the mean results for the determination of an analyte from portions of a sample obtained at random (checking the purity of a sample)</ul></div>
<p>Therefore, it is common in analytical work to run experiments in which there are <strong>three, four or even five levels of the independent variable</strong> (that can cause variation of the results in addition to <strong>random error</strong> of measurements) and in these cases the tests described in previous posts are inappropriate. Instead a technique called <strong>analysis of variance (ANOVA)</strong> is used. <strong>ANOVA</strong> is an extremely powerful statistical technique for analysis of data that has the advantage that it can be used to analyze situations in which there are several independent variables (or better several levels of the independent variable). In the examples given above levels of the independent variable are the different methods used, the different laboratories, the different conditions under which the solutions were stored.<p>The so called <strong>one-way ANOVA</strong> is presented in this post since there is <strong>one factor</strong> in addition to the random error of the measurements that causes variation of the results (methods, laboratories, storage conditions respectively). More complex situations in which there are two or more factors (i.e methods and laboratories, methods and storage conditions), possibly interacting with each other are going to be presented in another post.<p><div><p><strong><em>When the one-way ANOVA test should be used?</em></strong></div><p><strong>One-way ANOVA</strong> should be used when there is only one factor being considered and replicate data from changing the level of that factor are available. One-way ANOVA will answer the question: <strong>Is there a significant difference between the mean values (or levels)</strong>, given that the means are calculated from a number of replicate measurements? It tests the hypothesis that all group means are equal. An ANOVA produces an F-statistic or F-ratio, which is similar to a <strong><a href="https://chem-net.blogspot.com/2015/08/one-sample-t-test-in-chemical-analysis.html" title="One-Sample t-test in Chemical Analysis">t-test</a></strong> (t-statistic) in that it compares the amount of systematic variance in the data to the amount of unsystematic variance.<p><strong><em>Why not use several t-tests instead of ANOVA?</em></strong></div><div><p>Imagine a situation in which there were three experimental conditions (Method 1, Method 2 and Method 3) and we were interested in comparing differences in the means of the results of these three methods. If we were to carry out t-tests on every pair of methods, then we would have to carry out three separate tests: one to compare means of Method 1 and 2, one to compare means of Method 1 and 3 and one of Method 2 and 3. Not only is this a lot of work but the chance of reaching a wrong conclusion increases. The correct way to analyse this sort of data is to use one-way ANOVA.</div><div><p>Results from statistical analysis have a certain value only if all relevant assumptions are met. For a one-way ANOVA these are:</div><div><ol>
<li><strong><u>Normality</u></strong>: The dependent variable is normally distributed within each population (ANOVA is a parametric test based on the <a href="https://chem-net.blogspot.com/2013/01/statistics-frequency-distributions.html" title="Statistics – Frequency Distributions, Normal Distribution, z-scores "><strong>normal distribution</strong></a>). Since most of the time we do not have a large amount of data it is difficult to prove any departure from normality. It has been shown, however, that even quite large deviations from normality do not affect the ANOVA test. ANOVA is a robust method with respect to violations of normality. If there is a large amount of data tests for normality can be used such as the <strong><a href="https://chem-net.blogspot.com/2012/12/calibration-and-outliers-statistical.html" title="Calibration and Outliers - Statistical Analysis ">Normal Q-Q plots</a></strong>, <strong>the Shapiro-Wilk test of normality</strong>,<strong> plotting histograms</strong> and <strong>skewness and kurtosis</strong>.
<li><strong><u>Homoscedasticity</u></strong>: The variance (spread) between groups (populations) is homogeneous (all populations have the same variance). If this is not the case (this happens often in chemical analysis) then the F-test can suggest a statistically significant difference where none is present. The best way to check for this is to plot the data. There are also a number of tests for heteroscedasity like Bartlett's test and Levene's test. Homoscedasticity not holding is less serious when the sample sizes are equal. It may be also overcome this type of problem in the data by transforming it by taking for example logarithms (logs)<li><strong><u>Independent data</u></strong>: This often holds if each case (row of cells) represents a unique observation</ol></div><div><p>If assumptions 1 and 2 seem seriously violated then the <strong>Kruskal-Wallis test</strong> can be used instead of ANOVA. This test is a non-parametric test and therefore does not require normally distributed data.</div><div><p>The principle of the one-way ANOVA test is more easily understood by means of the following example.</div><p><div><p class=titles><u><strong>Example I.1</strong></u></div><div><p>Figure I.1 shows the analytical results obtained regarding the weight of Au (in grams/ton) in a certified reference material X. Three different methods (Method 1, 2 and 3) were used for the determination and six replicate measurements were made in each case. Is there a significant difference in the means calculated by each method?</div><p class=posts><img alt="Weight of Au (grams/ton) in a certified reference material X determined by 3 different methods - Example ANOVA"height=400 src=https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEgiKzaK5jecoEexvsZTALx9cUYoYSDjC7pb4cW9GGC0t63s2DksLKEHWr1j-NXjgzREsZHSS5HCw6T38qWbowOOogyRJaGq2BcS0XpNxaNGN8d3Ya9PoVj3HKq_ABA_w1lSPAzOrDb4Fi4/s400/anova_example_spreadsheet.jpg title="Fig. I.1: Weight of Au (grams/ton) determined by Method 1, 2 and 3 in a certified reference material"width=296><div>
<p>Before running an <strong>ANOVA test</strong> let us first plot our data using a histogram (<a href="https://chem-net.blogspot.com/2013/01/statistics-frequency-distributions.html" title="Statistics – Frequency Distributions, Normal Distribution, z-scores "><strong>frequency distribution curve</strong></a>). The results in Fig. I.1 have been inserted in an <strong>SPSS</strong> spreadsheet. In SPSS access the main dialog box using Graphs <strong>--------></strong> Legacy Dialogs <strong>--------></strong> Histogram</div><div><p>The following histogram is obtained (Fig. I.2). A split histogram gives information regarding the three assumptions mentioned above.</div><p class=posts><img alt="Histograms of the frequencies of the results of the variable Analytical_Result_g vs. values of the dependent variable Analytical_Result_g for the three methods used"height=393 src=https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEiW-tnDPzf6L3bDRc4RLuTOcQ-ASUKJtx2pQxnCJVLobfqj7BPFNWWt55oIrb616Nn8ge71U7yuAxzsoMjNJqLcHcHr9yldPftwNcpJoU-CD5SQVmOqRqm1Uk09jOzu61U_J5OxImk4wsI/s640/histogram_anova.jpg title="Fig. I.2: Three histograms (one for each method) for the frequencies of the data for Au (grams/ton) determined by Method 1, 2 and 3 vs. values of Au (grams/ton)"width=640><div><ol><li><strong><u>Normality</u></strong>: All distributions look reasonably normal even though there is not a large amount of data. The dependent variable seems normally distributed within each population. It has been shown, however, that even quite large deviations from normality do not affect the <strong>ANOVA test</strong>.<li><strong><u>Homoscedasticity</u></strong>: The two histograms - first and third - are roughly equally wide. The second seems to be wider due to a outlier. It seems as though the results have roughly equal variances over the three methods. As a rule of thumb variances are unequal when the larger variance is more than 4 times the smaller variance. This is not the case in this example. Levene's test is going to be used to prove that variances for the three methods are equal in a formal way.<li><strong><u>Independent data</u></strong>: Data are independent since each case (row of cells) represents a unique observation</ol></div><div><p>In SPSS access the main dialog box using Analyze <strong>--------></strong> Compare Means <strong>--------></strong> One-Way Anova (Fig. I.3) and select as Dependent List (variable): Analytical_Result_g and as Factor: Method. Press O.K. (Fig. I.4). The means of the analytical results obtained by Method 1, 2 and 3 (methods are a factor that may affect the means) are compared. The question that has to be answered is if the differences between these means are statistically significant or these mean values are the same.</div><p class=posts><img alt="One-way ANOVA using SPSS - Selecting Analyze, Compare Means, One-Way Anova"height=531 src=https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEhYPDPFpnrfqkSyDMwH3teX9cg86UeQjxwfQkHOkLAGqdu2bNQveQBykf9w6jEDsuZYNYOp6v93mXvIigw1K9cZ4S1IJ9gsKEx_WmD2yh3B4Y1UZ_Gq6igkdb8Xt7Xnb-gy1FeYck3Hk9U/s400/analysis_anova.jpg title="Fig. I.3: SPSS Main Dialog Box: Selecting Analyze, Compare Means, One-Way Anova"width=640><p class=posts><img alt="One-way ANOVA using SPSS - Selecting the Dependent Variable: Analytical_Result_g and the factor that may affect the means (the three methods Method 1,2,3) "height=227 src=https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEjJ2g8_Fh8-7RkpvQTm8g29McSggzS-hTr2r8hqu75QQpIAMNaKhNpruP7GjhLx4AwFEnWsMnHluH_W5CGvH_KGaBZpLfsg7AeYBSSdXX7DodeMCLGh1jZ9hj8CGunwVx3SPom9pLrWm1I/s400/analysis_anova_selection.jpg title="Fig. I.4: Selecting the Dependent Variable: Analytical_Result_g and the factor that may affect the means (the three methods Method 1,2,3) and therefore Factor: Method"width=400><div><p>The selection Options is pressed (Fig. I.4) and Descriptive Statistics, Homogeneity of Variance Test and Means Plot is checked in the one-way ANOVA SPSS dialog box and Continue is pressed (Fig. I.5).</div><p class=posts><img alt="The SPSS dialog box One-Way Anova: Options"height=320 src=https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEinM_pSpoZcqeUflgUkPnut_pKr_n13wO5VPLn05SyIeHcuYXvMfiEGeZbjzpOnzI6JJJIwwXk7HF9ZIHE9Z_7JG5ZnXfywXCk9d7Bxb6mSS5ul3fX4fz8C9n2BvMtvYeYWvknnEXlcWD8/s320/analysis_anova_selection_2.jpg title="Fig. I.5: The SPSS dialog box One-Way Anova: Options - The options Descriptive, Homogeinity of Variance and Means Plot are checked"width=257><div><p>After running the ANOVA test the following results are obtained (Fig. I.6):<ol><li>A Descriptives table for the dependent variable Analytical_Result_g. Where N is the number of replicates by each method (N=6). The mean weights of Au are almost equal when Methods 1 and 3 were used - 1.85 and 1.87 respectively - and they differ from the mean of Method 2 which is 1.65. Our main research question is whether these means differ significantly for the three different methods.<li>A table for the test of Homogeneity of Variances (<strong>Levene's test</strong>). It checks whether the variances of the results obtained by the three methods differ significantly. If p ‹ 0.05 then they differ significantly. In this case p = 0.387 › 0.05 and therefore the variances of the three means do not differ significantly. Therefore, the ANOVA test was the right choice.<li>An ANOVA table. Where the degrees of freedom df for Between Groups and Within Groups are given (2 and 15 respectively) and the F statistic F= 6.649. The p value denoted by Sig = 0.009 ‹ 0.05 indicates that the three means differ significantly due to the different analytical methods.</ol></div><p class=posts><img alt="The SPSS One-Way Anova Output with a Descriptives, Test of Homogeinity of variances and ANOVA table"height=324 src=https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEhXtvZIjZUcFEsSDWP3MnIKUwTID6jqKsn1U0tNlnbKWeSMrwBw3T11_EZ4Vd3DeHxGVjIscAAxrY2-C1b6AYgILwGVlC9elwPawhSURNUSn_brwnS376nnuLg8gO0PvVEdu10uHx-FK9Y/s640/analysis_anova_results.jpg title="Fig. I.6: The SPSS One-Way Anova Output"width=640><hr><div><p class=titles><strong><u>Relevant Posts</u></strong><p class=posts><a href=https://chem-net.blogspot.com/2013/01/statistics-frequency-distributions.html>Statistics – Frequency Distributions, Normal Distribution, z-scores</a><p class=posts><a href=https://chem-net.blogspot.com/2015/12/testing-for-normality-ofdistribution.html>Testing for Normality of Distribution (the Kolmogorov-Smirnov test)</a></div><hr><div><p class=titles><strong><u>References</u></strong><ol><li>D.B. Hibbert, J.J. Gooding, "Data Analysis for Chemistry", Oxford Univ. Press, 2005<li>J.C. Miller and J.N Miller, “Statistics for Analytical Chemistry”, Ellis Horwood Prentice Hall, 2008<li>Steven S. Zumdahl, “Chemical Principles” 6th Edition, Houghton Mifflin Company, 2009<li>D. Harvey, “Modern Analytical Chemistry”, McGraw-Hill Companies Inc., 2000<li>R.D. Brown, “Introduction to Chemical Analysis”, McGraw-Hill Companies Inc, 1982<li>S.L.R. Ellison, V.J. Barwick, T.J.D. Farrant, “Practical Statistics for the Analytical Scientist”, 2nd Edition, Royal Society of Chemistry, 2009<li>A. Field, “Discovering Statistics using SPSS” , Sage Publications Ltd., 2005</ol></div><hr><div><p class=titles><strong><u>Key Terms</u></strong></div><p><strong><u>comparing several means</u></strong>, <strong><u>analysis of variance</u></strong><strong>, </strong><strong><u>ANOVA,</u></strong> <strong><u>t-tests,</u></strong><hr>K.G.K. (Quality Editions)http://www.blogger.com/profile/18164345508953392426noreply@blogger.com0tag:blogger.com,1999:blog-69387733388315341.post-69232302433760865822017-01-30T21:00:00.003+02:002017-01-30T21:22:16.135+02:00pH Buffer Solution Preparation<!DOCTYPE html><html lang=en><meta charset=utf-8><title>pH Buffer Solution Preparation</title><meta content="Methods to prepare pH buffer solutions for the standardization (calibration) of pH meters are discussed in this post. The table given indicates the pH of the buffer solution as a function of temperature.
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The table given indicates the pH of the buffer solution as a function of temperature."itemprop=description><meta content="pH buffer solutions, calibrating a ph meter using buffers, standard pH buffer solution, pH meter calibration, buffer 10, 10 buffer, preparing pH buffer solutions, using buffer, standard pH buffer solutions, different buffers,borate pH buffer solutions, buffer s, strong buffer,buffer preparation table, standard buffer, buffers solution, usp pH buffer solutions, acetate buffer preparation, buffer solution examples,buffer solution ph 4,ph 7 buffer, sodium phosphate buffer preparation,preparation of phosphate buffer,making buffers,phosphate buffer table,ph 4 buffer,
sodium phosphate buffer table, buffers solution, ph 7 buffer solution, alkaline buffer solution,ph 10 buffer, ph meter buffer solution,ph and buffers,ph buffer 7, 10 buffer, buffers and ph, pH buffer solution preparation procedure, pH buffer solution preparation, pH buffer solutions, how pH buffer solutions work, why are pH buffer solutions useful,how do pH buffer solutions work, chemistry pH buffer solutions, common pH buffer solutions, how to calculate pH buffer solutions, how to make pH buffer solutions, how to prepare pH buffer solutions, how to make a buffer, borate pH buffer solution, ap, ib, mcat, alkaline pH buffer solution, Chemistry Net"itemprop=keywords><meta itemprop='articleBody' content="Buffer solutions are used for the calibration of pH meters as described in the post entitled "Calibrating a pH meter using buffers". In most pH measurements, a single glass electrode-reference electrode probe assembly is transferred between two solutions. Ex is the measured potential of the solution tested and Es is the measured potential of a standard pH buffer solution.
By definition the pH of a solution x is given by:
pHx = pHs +( Ex - Es)/k
where pHs is the pH of the standard pH buffer solution, pHx the pH of the tested solution, Es and Ex the corresponding potentials and k is a constant at a specific temperature.
The instrument if it is properly calibrated must be capable of reproducing pH values to 0.02 pH units. To prepare the standard pH buffer solutions (recommended by NIST), the indicated weights of the followig pure materials should be dissolved in water of specific conductivity not greater than 5 micromhos:
Potassium Tetraoxalate (0.05M) - Dissolve 12.61 g of KH3(C2O4)2.2H2O in water to make 1000 ml
Potassium Biphthalate (0.05M) - Dissolve 10.12 g of KHC8H4O4 previously dried at 110 C for 1 hour, in water to make 1000 ml
Equimolar Phosphate (0.05M) - Dissolve 3.53 g of Na2HPO4 and 3.39 g of KH2PO4, each previously dried at 120 C for 2 hours, in water to make 1000 ml
Sodium Tetraborate (0.01M) -Dissolve 3.80 g of Na2B4O7.10H2O in water to make 1000 ml. Protect from atmospheric carbon dioxide.
Calcium Hydroxide, saturated at 25 C - Dissolve an excess of calcium hydroxide with water, and decant at 25 C before use. Protect from atmospheric carbon dioxide.
The above solutions must be stored in hard glass or polyethylene bottles fitted with a tight closure or a carbon dioxide-absorbing tube (soda lime). Fresh solutions should be prepared at intervals not to exceed 3 months using carbon dioxide-free water.
Carbon dioxide-free water is distilled water that has been boiled vigorously for at least 5 minutes and allowed to cool without contact with the atmosphere.
Table 1 indicates the pH of the buffer solutions as a function of temperature.
Measuring the pH of a Solution with a pH meter
Calibrating a pH meter using buffers
References
CRC Handbook of Chemistry and Physics, 52nd edition, The Chemical Rubber Co., (1971)
U.S. Pharmacopeia, USP 37
R. G. Bates, J. Res. Natl. Bur. Stand. (U.S.), 66A:179 (1962)
David W. Oxtoby, H.P. Gillis, Alan Campion, “Principles of Modern Chemistry”, Sixth Edition, Thomson Brooks/Cole, 2008
Steven S. Zumdahl, “Chemical Principles” 6th Edition, Houghton Mifflin Company, 2009
Key Terms pH buffer solutions, calibrating a pH meter, buffers, buffer solutions,
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</p> <div><h1>Preparing Buffer Solutions for pH meter Calibration</h1></div><p><table id=table_inline_google_ad><tr><td><script async src=//pagead2.googlesyndication.com/pagead/js/adsbygoogle.js></script><ins class=adsbygoogle data-ad-client=ca-pub-6219154522782942 data-ad-slot=1762788140 style=display:inline-block;width:336px;height:280px></ins><script>(adsbygoogle=window.adsbygoogle||[]).push({})</script></table><div><p><strong>Buffer solutions</strong> are used for the <strong>calibration of pH meters</strong> as described in the post entitled <a href=https://chem-net.blogspot.com/2011/04/calibrating-ph-meter-using-buffers.html title="Calibrating a pH meter using buffers "><strong>"Calibrating a pH meter using buffers"</strong></a> . In most <a href=https://chem-net.blogspot.com/2011/04/measuring-ph-of-solution-with-ph-meter.html title="Measuring the pH of a Solution with a pH meter"><strong>pH measurements</strong></a>, a single glass electrode-reference electrode probe assembly is transferred between two solutions. E<sub>x</sub> is the measured potential of the solution tested and E<sub>s</sub> is the measured potential of a standard pH buffer solution.<p>By definition the<strong> pH of a solution</strong> x is given by:<p class=formula>pH<sub>x</sub> = pH<sub>s</sub> +( E<sub>x</sub> - E<sub>s</sub>)/k<p>where pH<sub>s </sub>is the pH of the standard pH buffer solution, <span class=formula1>pH<sub>x</sub></span> the pH of the tested solution, <span class=formula>E<sub>s</sub> and E<sub>x</sub></span> the corresponding potentials and k is a constant at a specific temperature.<p>The instrument if it is properly calibrated must be capable of reproducing pH values to 0.02 pH units.<p>To prepare the standard pH buffer solutions (recommended by NIST), the indicated weights of the followig pure materials should be dissolved in water of specific conductivity not greater than 5 micromhos:</div><div><ul><li>Potassium Tetraoxalate (0.05M) - Dissolve 12.61 g of KH<sub>3</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>2</sub>.2H<sub>2</sub>O in water to make 1000 ml<li>Potassium Biphthalate (0.05M) - Dissolve 10.12 g of KHC<sub>8</sub>H<sub>4</sub>O<sub>4</sub> previously dried at 110 C for 1 hour, in water to make 1000 ml<li>Equimolar Phosphate (0.05M) - Dissolve 3.53 g of Na<sub>2</sub>HPO<sub>4</sub> and 3.39 g of KH<sub>2</sub>PO<sub>4</sub>, each previously dried at 120 C for 2 hours, in water to make 1000 ml<li>Sodium Tetraborate (0.01M) -Dissolve 3.80 g of Na<sub>2</sub>B<sub>4</sub>O<sub>7</sub>.10H<sub>2</sub>O in water to make 1000 ml. Protect from atmospheric carbon dioxide.<li>Calcium Hydroxide, saturated at 25 C - Dissolve an excess of calcium hydroxide with water, and decant at 25 C before use. Protect from atmospheric carbon dioxide.</ul></div><div><p>The above solutions must be stored in hard glass or polyethylene bottles fitted with a tight closure or a carbon dioxide-absorbing tube (soda lime). Fresh solutions should be prepared at intervals not to exceed 3 months using carbon dioxide-free water.<p>Carbon dioxide-free water is distilled water that has been boiled vigorously for at least 5 minutes and allowed to cool without contact with the atmosphere.<p>Table 1 indicates the pH of the buffer solutions as a function of temperature.<div><p class=titles></div></div><table id=table_title class=center><tr><th>Table 1: pH Values of Buffer Solutions for Standardization</table><table id=table_1 class=center><tr><td style=width:90px;background-color:#f6bd9b><div>Temperature(°C)</div><td style=width:110px;background-color:#f6bd9b><div>Potassium Tetraoxalate 0.05 M</div><td style=width:110px;background-color:#f6bd9b><div>Potassium Biphthalate 0.05 M</div><td style=width:110px;background-color:#f6bd9b><div>Equimolar Phosphate 0.05M</div><td style=width:110px;background-color:#f6bd9b><div>Sodium Tetraborate 0.01M</div><td style=width:110px;background-color:#f6bd9b><div>Calcium Hydroxide saturd.<div> 25 °C</div></div><tr><th>0<th>1.666<th>4.003<th>6.984<th>9.464<th>13.423<tr><td>5<td>1.668<td>3.999<td>6.951<td>9.395<td>13.207<tr><th>10<th>1.670<th>3.998<th>6.923<th>9.332<th>13.003<tr><td>15<td>1.672<td>3.999<td>6.900<td>9.276<td>12.810<tr><th>20<th>1.675<th>4.002<th>6.881<th>9.225<th>12.627<tr><td>25<td>1.679<td>4.008<td>6.865<td>9.180<td>12.454<tr><th>30<th>1.683<th>4.015<th>6.853<th>9.139<th>12.289<tr><td>35<td>1.688<td>4.024<td>6.844<td>9.102<td>12.133<tr><th>38<th>1.691<th>4.030<th>6.840<th>9.081<th>12.043<tr><td>40<td>1.694<td>4.035<td>6.838<td>9.068<td>11.984<tr><th>45<th>1.700<th>4.047<th>6.834<th>9.038<th>11.841<tr><td>50<td>1.707<td>4.060<td>6.833<td>9.011<td>11.705<tr><th>55<th>1.715<th>4.075<th>6.834<th>8.985<th>11.574<tr><td>60<td>1.723<td>4.091<td>6.836<td>8.962<td>11.449<tr><th>70<th>1.743<th>4.126<th>6.845<th>8.921<th><tr><td>80<td>1.766<td>4.164<td>6.859<td>8.885<td><tr><th>90<th>1.792<th>4.205<th>6.877<th>8.850<th><tr><td>95<td>1.806<td>4.227<td>6.886<td>8.833<td></table><table id=chemical_news_interesting_index2 class=center><caption></table><p><hr><div><p class=titles><strong><u>Relevant Posts</u></strong><p class=posts><a href=https://chem-net.blogspot.com/2011/04/measuring-ph-of-solution-with-ph-meter.html>Measuring the pH of a Solution with a pH meter</a><p class=posts><a href=https://chem-net.blogspot.com/2011/04/calibrating-ph-meter-using-buffers.html>Calibrating a pH meter using buffers</a></div><hr><div><p class=titles><strong><u>References</u></strong><ol><li>CRC Handbook of Chemistry and Physics, 52nd edition, The Chemical Rubber Co., (1971)<li>U.S. Pharmacopeia, USP 37<li>R. G. Bates, J. Res. Natl. Bur. Stand. (U.S.), 66A:179 (1962)<li>David W. Oxtoby, H.P. Gillis, Alan Campion, “Principles of Modern Chemistry”, Sixth Edition, Thomson Brooks/Cole, 2008<li>Steven S. Zumdahl, “Chemical Principles” 6th Edition, Houghton Mifflin Company, 2009</ol></div><hr><div><p class=titles><strong><u>Key Terms</u></strong></div><p><strong><u>pH buffer solutions</u></strong>, <strong><u>calibrating a pH meter</u></strong><strong>, </strong><strong><u>buffers,</u></strong> <strong><u>buffer solutions,</u></strong><hr>K.G.K. (Quality Editions)http://www.blogger.com/profile/18164345508953392426noreply@blogger.com0tag:blogger.com,1999:blog-69387733388315341.post-37602335082068600452017-01-23T20:21:00.001+02:002017-01-26T21:17:17.892+02:00Standard Buffer Solutions - Preparing alkaline Borate Buffers
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<meta itemprop="description" content="In a previous post entitled "Buffer Solutions - How to prepare buffer solutions" the basic steps for preparing buffers were presented. It was shown that it is possible to prepare buffer solutions that maintain the pH close to any desired value by the proper choice of a weak acid and its conjugate base and their relatitive concentrations.
The following steps can be used to prepare different buffers:
Determine the optimal pH (the required pH)
Select a weak acid with a pka near the desired pH
Calculate the ratio of salt to acid required to produce the desired pH (Henderson-Hasselbach equation): pH = pka - log [HA]O/[A-]O
Determine the desired buffer capacity of the solution
Calculate the total buffer concentration required to produce this buffer capacity ß (Van Slyke equation): ß = 2.3* C* (ka * [H3O+]) / (ka + [H3O+] )2
Determine the pH and the buffer capacity of the final buffer solution using a reliable pH meter.
As an example it was described how to prepare phosphate buffer solutions and acetate buffers. In this post it will be shown how to prepare an alkaline borate buffer (pH 8.0 to 10.0).
Borate buffer (alkaline)
Prepare the following solutions:
Boric Acid and Potassium Chloride, 0.2 M:
Dissolve 12.37 g of boric acid (H3BO3) and 14.91 g of potassium chloride (KCl)in water and dilute with water to 1000 ml.
Sodium Hydroxide , 1 M:
Dissolve 162 g of sodium hydroxide in 150 ml of carbon dioxide-free water, cool the solution to room temperature and filter through hardened filter paper. Transfer 54.5 ml of the clear filtrate to a tight, polyolefin container, and dilute with carbon dioxide-free water to 1000 ml.
Standarize the above solution as follows: Accurately weigh about 5 g of potassium biphthalate, previously crushed lightly and dried at 120 C for 2 hours, and dissolve in 75 ml of carbon dioxide-free water. Add 2 drops of phenolphthalein and titrate with the sodium hydroxide solution to the production of a permanent pink color.
M = g KHC8H4O4 /( 0.20422 * ml NaOH solution) (M, Molarity of solution)
Sodium Hydroxide, 0.2 M:
Prepare a 0.2 M NaOH solution: Dilute appropriatelly the 1 M NaOH solution
Place 50 ml of the boric acid and potassium chloride solution in a 200 ml volumetric flask
Add the specified volume of the 0.2 M NaOH solution shown in the table below
Add water to volume and mix.
Relevant Posts
Buffer Solutions - How to prepare buffer solutions
Standard Buffer Solutions -Preparing Na Acetate Buffers
References
CRC Handbook of Chemistry and Physics, 52nd edition, The Chemical Rubber Co., (1971)
U.S. Pharmacopeia, 68, USP 36
David W. Oxtoby, H.P. Gillis, Alan Campion, “Principles of Modern Chemistry”, Sixth Edition, Thomson Brooks/Cole, 2008
Steven S. Zumdahl, “Chemical Principles” 6th Edition, Houghton Mifflin Company, 2009
Key Terms
preparing standard buffer solutions, borate buffer, buffers, 10 buffer,
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<p><p> </p><div><h1>Standard Buffer Solutions -Preparing Alkaline Borate Buffers</h1></div><table id=table_inline_google_ad><tr><td><script async src=//pagead2.googlesyndication.com/pagead/js/adsbygoogle.js></script><ins class=adsbygoogle data-ad-client=ca-pub-6219154522782942 data-ad-slot=1762788140 style=display:inline-block;width:336px;height:280px></ins><script>(adsbygoogle=window.adsbygoogle||[]).push({})</script></table><div><p>In a previous post entitled <a href=https://chem-net.blogspot.com/2017/01/buffer-solutions-how-to-prepare-buffer-solutions.html title="Buffer Solutions - How to prepare buffer solutions"><strong>"Buffer Solutions - How to prepare buffer solutions"</strong></a> the basic steps for <strong>preparing buffers</strong> were presente d. It was shown that it is possible to prepare buffer solutions that maintain the pH close to any desired value by the proper choice of a weak acid and its conjugate base and their relatitive concentrations.<p>The following steps can be used to prepare <a href=https://chem-net.blogspot.com/2017/01/buffer-solutions-how-to-prepare-buffer-solutions.html title="how to prepare buffer solutions"><strong>different buffers</strong></a>:</div><div><ul><li>Determine the optimal pH (the required pH)<li>Select a weak acid with a pka near the desired pH<li>Calculate the ratio of salt to acid required to produce the desired pH (Henderson-Hasselbach equation): <span class=formula>pH = pk<sub>a</sub> - log [H<sub>A</sub>]<sub>O</sub>/[A<sup>-</sup>]<sub>O</sub></span><li>Determine the desired buffer capacity of the solution<li>Calculate the total buffer concentration required to produce this buffer capacity ß (Van Slyke equation): <span class=formula>ß = 2.3* C* (k<sub>a</sub> * [H<sub>3</sub>O<sup>+</sup>]) / (k<sub>a</sub> + [H<sub>3</sub>O<sup>+</sup>] )<sup>2</sup></span><li>Determine the pH and the buffer capacity of the final buffer solution using a reliable pH meter.</ul></div><p><div><p>As an example it was described how to prepare <a href=https://chem-net.blogspot.com/2017/01/standard-buffer-solutions-phosphate-buffer.html title="Standard Buffer Solutions-Phosphate Buffer"><strong>phosphate buffer solutions</strong></a> and<a href=https://chem-net.blogspot.com/2017/01/standard-buffer-solutions-preparing-acetate-buffers.html><strong> acetate buffers</strong></a>. In this post it will be shown how to prepare an alkaline <strong>borate buffer</strong> (pH 8.0 to 10.0).<p> </p><p><div><p class=titles><u><strong>Borate buffer (alkaline)</strong></u></div></div><div><ul><li><strong>Prepare the following solutions</strong>:</ul></div><div><p><u>Boric Acid and Potassium Chloride, 0.2 M</u>:</div><div><ol><li>Dissolve 12.37 g of boric acid (H<sub>3</sub>BO<sub>3</sub>) and 14.91 g of potassium chloride (KCl) in water and dilute with water to 1000 ml.</ol></div><div><p><u>Sodium Hydroxide , 1 M</u>:</div><div><ol><li>Dissolve 162 g of sodium hydroxide in 150 ml of carbon dioxide-free water, cool the solution to room temperature and filter through hardened filter paper. Transfer 54.5 ml of the clear filtrate to a tight, polyolefin container, and dilute with carbon dioxide-free water to 1000 ml.<li>Standarize the above solution as follows: Accurately weigh about 5 g of potassium biphthalate, previously crushed lightly and dried at 120 C for 2 hours, and dissolve in 75 ml of carbon dioxide-free water. Add 2 drops of phenolphthalein and titrate with the sodium hydroxide solution to the production of a permanent pink color.</ol></div><p class=formula1>M = g KHC<sub>8</sub>H<sub>4</sub>O<sub>4</sub> /( 0.20422 * ml NaOH solution) (M, Molarity of solution)<div><p><u>Sodium Hydroxide, 0.2 M</u>:</div><div><ol><li>Prepare a 0.2 M NaOH solution: Dilute appropriatelly the 1 M NaOH solution</ol></div><div><ul><li><strong>Place 50 ml of the boric acid and potassium chloride solution in a 200 ml volumetric flask</strong><li><strong>Add the specified volume of the 0.2 M NaOH solution shown in the table below</strong><li><strong>Add water to volume and mix.</strong></ul></div><p><table id=table_title class=center><tr><th>Table 1: Alkaline Borate Buffer - Standard Buffer Solution</table><table id=table_1 class=center><tr><td style=width:119px;background-color:#f6bd9b>pH<td style=width:207px;background-color:#f6bd9b>0.2 M NaOH (ml)<td style=width:212px;background-color:#f6bd9b>0.2 M Boric Acid & Potassium Chloride solution (ml)<tr><th>8.0<th>3.9<th>50<tr><td>8.2<td>6.0<td>50<tr><th>8.4<th>8.6<th>50<tr><td>8.6<td>11.8<td>50<tr><th>8.8<th>15.8<th>50<tr><td>9.0<td>20.8<td>50<tr><th>9.2<th>26.4<th>50<tr><td>9.4<td>32.1<td>50<tr><th>9.6<th>36.9<th>50<tr><td>9.8<td>40.6<td>50<tr><th>10.0<th>43.7<th>50</table><table id=chemical_news_interesting_index2 class=center><caption></table><p><hr><div><p class=titles><strong><u>Relevant Posts</u></strong><p class=posts><a href=https://chem-net.blogspot.com/2017/01/buffer-solutions-how-to-prepare-buffer-solutions.html>Buffer Solutions - How to prepare buffer solutions</a><p class=posts><a href=https://chem-net.blogspot.com/2017/01/standard-buffer-solutions-preparing-acetate-buffers.html>Standard Buffer Solutions -Preparing Na Acetate Buffers</a></div><hr><div><p class=titles><strong><u>References</u></strong><ol><li>CRC Handbook of Chemistry and Physics, 52nd edition, The Chemical Rubber Co., (1971)<li>U.S. Pharmacopeia, 68, USP 36<li>David W. Oxtoby, H.P. Gillis, Alan Campion, “Principles of Modern Chemistry”, Sixth Edition, Thomson Brooks/Cole, 2008<li>Steven S. Zumdahl, “Chemical Principles” 6th Edition, Houghton Mifflin Company, 2009</ol></div><hr><div><p class=titles><strong><u>Key Terms</u></strong></div><p><strong><u>preparing standard buffer solutions</u></strong>, <strong><u>borate buffer</u></strong><strong>, </strong><strong><u>buffers,</u></strong> <strong><u>10 buffer,</u></strong><hr>K.G.K. (Quality Editions)http://www.blogger.com/profile/18164345508953392426noreply@blogger.com1tag:blogger.com,1999:blog-69387733388315341.post-57557164816108708652017-01-19T20:28:00.001+02:002017-01-24T20:44:16.111+02:00Standard Buffer Solutions - Preparing Na Acetate Buffers<!doctype html>
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<div class="breadcrumbs"><a href="https://chem-net.blogspot.com/">Home</a> > <a href="https://chem-net.blogspot.com/2016/12/chemical-news-interesting-chem-phys-index.html"> Fundamental Physical Constants - Chemical - Physical - Thermochemical Data</a> > <a href="https://chem-net.blogspot.com/2017/01/buffer-solutions-how-to-prepare-buffer-solutions.html">Buffer Solutions - How to prepare buffer solutions</a> > <a href="https://chem-net.blogspot.com/2017/01/preparing-standard-buffer-solutions-phthalates.html">Preparing Standard Buffer Solutions -Phthalate Acid and Neutralized Buffers </a> > <a href="https://chem-net.blogspot.com/2017/01/standard-buffer-solutions-phosphate-buffer.html">Standard Buffer Solutions -Phosphate Buffer</a> > Standard Buffer Solutions - Preparing Na Acetate Buffers</div>
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<meta itemprop='articleBody' content="In a previous post entitled "Buffer Solutions - How to prepare buffer solutions" the basic steps for designing buffers were presented. It was shown that it is possible to prepare buffer solutions that maintain the pH close to any desired value by the proper choice of a weak acid and its conjugate base and their relatitive concentrations.
The following steps can be used to prepare standard buffer solutions:
Determine the optimal pH (the required pH)
Select a weak acid with a pka near the desired pH
Calculate the ratio of salt to acid required to produce the desired pH (Henderson-Hasselbach equation): pH = pka - log [HA]O/[A-]O
Determine the desired buffer capacity of the solution
Calculate the total buffer concentration required to produce this buffer capacity ß (Van Slyke equation): ß = 2.3* C* (ka * [H3O+]) / (ka + [H3O+] )2
Determine the pH and the buffer capacity of the final buffer solution using a reliable pH meter.
As an example it was described how to prepare a phosphate standard buffer solution and a phthalate standard buffer solution. In this post it will be shown how to prepare an acetate buffer (pH 4.1 to 5.5).
Acetate buffer
Prepare the following solutions:
Acidic Acid, 2 N:
Add 116 ml of glacial acetic acid to sufficient water to make 1000 ml after cooling at room temperature.
Place the specified amount of sodium acetate NaC2H3O2 . 3 H2O in a 1000 ml volumetric flask
Add the specified volume of the 2 N acetic acid solution shown in the table below
Add water to volume and mix.
Relevant Posts
Buffer Solutions - How to prepare buffer solutions
Standard Buffer Solutions -Phosphate Buffer
References
CRC Handbook of Chemistry and Physics, 52nd edition, The Chemical Rubber Co., (1971)
U.S. Pharmacopeia, 68, USP 36
David W. Oxtoby, H.P. Gillis, Alan Campion, “Principles of Modern Chemistry”, Sixth Edition, Thomson Brooks/Cole, 2008
Steven S. Zumdahl, “Chemical Principles” 6th Edition, Houghton Mifflin Company, 2009
Key Terms
preparing standard buffer solutions, acetate buffer, buffers, 5 buffer,
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<div>
<h1>Standard Buffer Solutions -Preparing Na Acetate Buffers</h1></div>
<p> </p>
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<div>
<p>In a previous post entitled <a href="https://chem-net.blogspot.com/2017/01/buffer-solutions-how-to-prepare-buffer-solutions.html" title="Buffer Solutions - How to prepare buffer solutions"><strong>"Buffer Solutions - How to prepare buffer solutions" </strong></a> the basic steps for <strong>designing buffers</strong> were presented. It was shown that it is possible to prepare buffer solutions that maintain the pH close to any desired value by the proper choice of a weak acid and its conjugate base and their relatitive concentrations. </p>
<p>The following steps can be used to prepare <a href="https://chem-net.blogspot.com/2017/01/buffer-solutions-how-to-prepare-buffer-solutions.html" title="how to prepare buffer solutions"><strong>standard buffer solutions</strong></a>:</p>
<div></div>
<ul>
<div>
<li>Determine the optimal pH (the required pH)</li>
<li>Select a weak acid with a pka near the desired pH</li>
<li>Calculate the ratio of salt to acid required to produce the desired pH (Henderson-Hasselbach equation): <span class="formula">pH = pk<sub>a</sub> - log [H<sub>A</sub>]<sub>O</sub>/[A<sup>-</sup>]<sub>O</sub></span></li>
<li>Determine the desired buffer capacity of the solution</li>
<li>Calculate the total buffer concentration required to produce this buffer capacity ß (Van Slyke equation): <span class="formula">ß = 2.3* C* (k<sub>a</sub> * [H<sub>3</sub>O<sup>+</sup>]) / (k<sub>a</sub> + [H<sub>3</sub>O<sup>+</sup>] )<sup>2</sup></span></li>
<li>Determine the pH and the buffer capacity of the final buffer solution using a reliable pH meter.</li>
</div>
</ul>
<p> </p>
</div>
<div>
<p>As an example it was described how to prepare a <a href="https://chem-net.blogspot.com/2017/01/standard-buffer-solutions-phosphate-buffer.html
" title="Standard Buffer Solutions -Phosphate Buffer"><strong>standard phosphate buffer solution</strong></a> and a <a href="https://chem-net.blogspot.com/2017/01/preparing-standard-buffer-solutions-phthalates.html"><strong>phthalate standard buffer solution</strong></a>. In this post it will be shown how to prepare an <strong>acetate buffer</strong> (pH 4.1 to 5.5).</p>
<p> </p>
<div>
<p class="titles"><u><strong> Acetate buffer</strong></u> </p>
</div>
</ul>
</div>
<div></div>
<ul>
<div>
<li><strong>Prepare the following solutions</strong>:</li>
</div>
</ul>
<div>
<ol>
<div> </div>
</ol>
<p><u>Acidic Acid, 2 N</u>: </p>
<ol>
<li>Add 116 ml of glacial acetic acid to sufficient water to make 1000 ml after cooling at room temperature.</li>
</ol>
</div>
<div>
<ul>
<div>
<li><strong> Place the specified amount of sodium acetate NaC<sub>2</sub>H<sub>3</sub>O<sub>2</sub> . 3 H<sub>2</sub>O in a 1000 ml volumetric flask</strong></li>
<li><strong>Add the specified volume of the 2 N acetic acid solution shown in the table below</strong></li>
<li><strong>Add water to volume and mix.</strong></li>
</div>
</ul>
</div>
<p> </p>
<table width="557" border="1" align="center" style="color: #000000; font-style: normal; font-size: 18px; font-family: Baskerville, 'Palatino Linotype', Palatino, 'Century Schoolbook L', 'Times New Roman', serif;">
<tbody>
<tr>
<th width="529" bgcolor="#E0C9BA" scope="col">Table 1: Acetate buffer - Standard Buffer Solution</th>
</tr>
</tbody>
</table>
<table width="560" border="1" align="center" style="color: #000000; font-style: normal; font-size: 18px; font-family: Baskerville, 'Palatino Linotype', Palatino, 'Century Schoolbook L', 'Times New Roman', serif;">
<tbody>
<tr>
<th width="166" bgcolor="#F6BD9B" scope="row">pH (pH measured)</th>
<td width="186" bgcolor="#F6BD9B"><div align="center">NaC<sub>2</sub>H<sub>3</sub>O<sub>2</sub> . 3H<sub>2</sub>O</div></td>
<td width="186" bgcolor="#F6BD9B"><div align="center">2 N CH<sub>3</sub>COOH (ml)</div></td>
</tr>
<tr>
<th bgcolor="#E0C9BA" scope="row">4.1 (4.10)</th>
<td bgcolor="#E0C9BA"><div align="center">1.5</div></td>
<td bgcolor="#E0C9BA"><div align="center">19.5</div></td>
</tr>
<tr>
<th bgcolor="#F6BD9B" scope="row">4.3 (4.29)</th>
<td bgcolor="#F6BD9B"><div align="center">1.99</div></td>
<td bgcolor="#F6BD9B"><div align="center">17.7</div></td>
</tr>
<tr>
<th bgcolor="#E0C9BA" scope="row">4.5 (4.51)</th>
<td bgcolor="#E0C9BA"><div align="center">2.99</div></td>
<td bgcolor="#E0C9BA"><div align="center">14.0</div></td>
</tr>
</tbody>
</table>
<table width="560" border="1" align="center" style="color: #000000; font-style: normal; font-size: 18px; font-family: Baskerville, 'Palatino Linotype', Palatino, 'Century Schoolbook L', 'Times New Roman', serif;">
<tbody>
<tr>
<th width="167" bgcolor="#F6BD9B" scope="row">4.7 (4.70)</th>
<td width="186" bgcolor="#F6BD9B"><div align="center">3.59</div></td>
<td width="185" bgcolor="#F6BD9B"><div align="center">11.8</div></td>
</tr>
<tr>
<th bgcolor="#E0C9BA" scope="row">4.9 (4.90)</th>
<td bgcolor="#E0C9BA"><div align="center">4.34</div></td>
<td bgcolor="#E0C9BA"><div align="center">9.1</div></td>
</tr>
<tr>
<th bgcolor="#F6BD9B" scope="row">5.1 (5.11)</th>
<td bgcolor="#F6BD9B"><div align="center">5.08</div></td>
<td bgcolor="#F6BD9B"><div align="center">6.3</div></td>
</tr>
<tr>
<th bgcolor="#E0C9BA" scope="row">5.2 (5.18)</th>
<td bgcolor="#E0C9BA"><div align="center">5.23</div></td>
<td bgcolor="#E0C9BA"><div align="center">5.8</div></td>
</tr>
</tbody>
</table>
<table width="560" border="1" align="center" style="color: #000000; font-style: normal; font-size: 18px; font-family: Baskerville, 'Palatino Linotype', Palatino, 'Century Schoolbook L', 'Times New Roman', serif;">
<tbody>
<tr>
<th width="167" bgcolor="#F6BD9B" scope="row">5.3 (5.30)</th>
<td width="187" bgcolor="#F6BD9B"><div align="center">5.61</div></td>
<td width="184" bgcolor="#F6BD9B"><div align="center">4.4</div></td>
</tr>
<tr>
<th bgcolor="#E0C9BA" scope="row">5.4 (5.40)</th>
<td bgcolor="#E0C9BA"><div align="center">5.76</div></td>
<td bgcolor="#E0C9BA"><div align="center">3.8</div></td>
</tr>
</tbody>
</table>
<table width="560" border="1" align="center" style="color: #000000; font-style: normal; font-size: 18px; font-family: Baskerville, 'Palatino Linotype', Palatino, 'Century Schoolbook L', 'Times New Roman', serif;">
<tbody>
<tr>
<th width="169" bgcolor="#F6BD9B" scope="row">5.5 (5.48)</th>
<td width="185" bgcolor="#F6BD9B"><div align="center">5.98</div></td>
<td width="184" bgcolor="#F6BD9B"><div align="center">3.0</div></td>
</tr>
</tbody>
</table>
<p> </p>
<hr>
<div><p class="titles"><strong><u>Relevant Posts</u></strong><strong><u> </u></strong></p>
<p class="posts"><a href="https://chem-net.blogspot.com/2017/01/buffer-solutions-how-to-prepare-buffer-solutions.html">Buffer Solutions - How to prepare buffer solutions </a></p>
<p class="posts"><a href="https://chem-net.blogspot.com/2017/01/standard-buffer-solutions-phosphate-buffer.html"> Standard Buffer Solutions - Phosphate Buffer</a></p>
<p class="posts"><a href="https://chem-net.blogspot.com/2017/01/standard-buffer-solutions-preparing-borate-buffer.html">Standard Buffer Solutions -Preparing alkaline Borate Buffers</a></p>
</div>
<hr>
<div><p class="titles"><strong><u>References</u></strong></p><ol>
<li style="font-family: Tahoma, 'Times New Roman', Arial, Cambria; color: rgb(0, 0, 0); font-size: 16px; text-align: justify;">CRC Handbook of Chemistry and Physics, 52nd edition, The Chemical Rubber Co., (1971)</li>
<li style="font-family: Tahoma, 'Times New Roman', Arial, Cambria; color: rgb(0, 0, 0); font-size: 16px; text-align: justify;">U.S. Pharmacopeia, 68, USP 36</li>
<li style="font-family: Tahoma, 'Times New Roman', Arial, Cambria; color: rgb(0, 0, 0); font-size: 16px; text-align: justify;">David W. Oxtoby, H.P. Gillis, Alan Campion, “Principles of Modern Chemistry”, Sixth Edition, Thomson Brooks/Cole, 2008</li>
<li style="font-family: Tahoma, 'Times New Roman', Arial, Cambria; color: rgb(0, 0, 0); font-size: 16px; text-align: justify;">Steven S. Zumdahl, “Chemical Principles” 6th Edition, Houghton Mifflin Company, 2009</li>
</ol>
</div>
<hr>
<div><p class="titles"><strong><u>Key Terms</u></strong> </p></div>
<p align="justify"><strong><u>preparing standard buffer solutions</u></strong><strong>, <strong><u>acetate buffer</u></strong><strong>, </u></strong><strong> <u>buffers,</u></strong> <strong> <u> 5 buffer,</u></strong></p>
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