Binding of CO2 by a Mes2PCH2CH2B(C6F5)2 Species: An Involvement of the Ground State Species in a Low‐Energy Pathway. Issue 49 (4th November 2013)

• Record Type: Journal Article
• Authors: Pu, Maoping; Privalov, Timofei
• Is Part Of: Chemistry. Volume 19:Issue 49(2013)
• Page Start: 16512
• Page End: 16517
• Publication Date: 2013-11-04
• Subjects: Chemistry -- Periodicals; 540
• DOI: 10.1002/chem.201303297
• Languages: English
• ISSNs: 0947-6539

Abstract

<abstract abstract-type="graphical" xml:lang="en"> <title> <x xml:space="preserve">Abstract</x> </title> <p> <bold>Minimum‐energy pathway</bold> of CO₂ binding by Mes₂PCH₂CH₂B(C₆F₅)₂ in the gas phase starting directly from the ground state was calculated. Calculations showed that there is no need to stretch the PB bond, which is the commonly considered transformation towards an "open form" that occurs before CO₂ approaches the ground state conformation of complex (see figure).<boxed-text content-type="graphic" position="anchor" orientation="portrait"><graphic position="anchor" mimetype="image" xlink:href="ark:/27927/pgg4t7pp7cp" orientation="portrait" xlink:type="simple" xmlns:xlink="http://www.w3.org/1999/xlink" /></boxed-text></p> </abstract>