Theoretical investigations of proton and hydrogen atom transfer in the condensed phase

Abstract

Theoretical studies of the dynamics and kinetics of proton and hydrogen atom transfer processes occupy a special place in the kinetics of chemical reactions. The transition state theory is often inapplicable to these processes due to substantial quantum effects. Different approaches to the description of these reactions are discussed and compared. Calculations for a number of particular condensed-phase reactions involving proton or hydrogen atom transfer are analysed. Data of calculations of potential energy surfaces for the considered systems and the results of experimental kinetic and spectroscopic studies are presented. The bibliography includes 469 references.