<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Tayade, Sakharam B.</style></author><author><style face="normal" font="default" size="100%">Illathvalappil, Rajith</style></author><author><style face="normal" font="default" size="100%">Lapalikar, Vaidehi</style></author><author><style face="normal" font="default" size="100%">Markad, Datta</style></author><author><style face="normal" font="default" size="100%">Kurungot, Sreekumar</style></author><author><style face="normal" font="default" size="100%">Pujari, Bhatchandra</style></author><author><style face="normal" font="default" size="100%">Kumbhar, Avinash S.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">A copper(ii)-coordination polymer based on a sulfonic-carboxylic ligand exhibits high water-facilitated proton conductivity</style></title><secondary-title><style face="normal" font="default" size="100%">Dalton Transactions</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2019</style></year><pub-dates><date><style  face="normal" font="default" size="100%">AUG</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">48</style></volume><pages><style face="normal" font="default" size="100%">11034-11044</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;&lt;span class=&quot;hitHilite&quot;&gt;Proton&lt;/span&gt; conduction ability has been investigated in &lt;span class=&quot;hitHilite&quot;&gt;a&lt;/span&gt; new Cu(&lt;span class=&quot;hitHilite&quot;&gt;ii&lt;/span&gt;) &lt;span class=&quot;hitHilite&quot;&gt;based&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;coordination&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;polymer&lt;/span&gt; (CP), {[Cu-2(sba)(2)(bpg)(2)(H2O)(3)]center dot 5H(2)O}(n) (1), synthesized using the combination &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; 4-sulfobenzoic acid (4-Hsba) and bipyridine-glycoluril (BPG) ligands. Single crystal X-ray structure determination revealed that 1 features 1D porous channels encapsulating &lt;span class=&quot;hitHilite&quot;&gt;a&lt;/span&gt; continuous array &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; water molecules. &lt;span class=&quot;hitHilite&quot;&gt;Proton&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;conductivity&lt;/span&gt; measurements reveal &lt;span class=&quot;hitHilite&quot;&gt;a&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;high&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;conductivity&lt;/span&gt; value &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; 0.94 x 10(-2) S cm(-1) at 80 degrees C and 95% RH. The activation energy (E-&lt;span class=&quot;hitHilite&quot;&gt;a&lt;/span&gt;) &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; 0.64 eV demonstrates that the solvate water, coordinated water and hydrophilic groups in the channels promote the mobility &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; protons in the framework. Water sorption measurements exhibited hysterical behaviour &lt;span class=&quot;hitHilite&quot;&gt;with&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;a&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;high&lt;/span&gt; uptake value &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; 379.07 cm(3) g(-1). Time-dependent measurements revealed that the &lt;span class=&quot;hitHilite&quot;&gt;proton&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;conductivity&lt;/span&gt; is retained even after 12 h &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; measurements. The &lt;span class=&quot;hitHilite&quot;&gt;proton&lt;/span&gt; conduction mechanism was validated &lt;span class=&quot;hitHilite&quot;&gt;by&lt;/span&gt; ab initio electronic structure calculations using the Nudged Elastic Band (NEB) method &lt;span class=&quot;hitHilite&quot;&gt;with&lt;/span&gt; molecular dynamics (MD) simulation studies. The theoretical activation energy is calculated to be 0.54 eV which is in accordance &lt;span class=&quot;hitHilite&quot;&gt;with&lt;/span&gt; the experimental value.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">29</style></issue><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">&lt;p&gt;Foreign&lt;/p&gt;
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