Dynamics of hydrogen atom and proton transfer reactions. Nearly degenerate asymmetric case

Abstract

A method for approximate treatment of collinear H atom or proton transfer reactions AH+B → A+HB which involve two nearly degenerate vibrational states is developed. The method is based on constructing a diabatic representation of the problem, i.e., one in which the reactant and the product vibrational states are distinguished as such throughout the collision. The diabatic representation is constructed with the aid of the adiabatic one discussed in an earlier paper. The treatment can also be applied to symmetric exchange reactions, in which case it yields good agreement with other results.