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) - Pu, Maoping
Abstract Minimum‐energy pathway 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).