TUNNELING DYNAMICS OF THE LOW TEMPERATURE-H EXCHANGE-REACTIONS

A simple method for calculating of the tunneling linear hydrogen atom exchange reaction is proposed for heavy reactants Its main feature is the competing of two sniall probabilities of a sufficientiv close reactant approaching and of H transfer. The good accuracy and the validity of the whole tunnel dynamics picture are confirmed by the numerical results obtained bv the classical S-matrix method modified for strongly exothermic reactions. The study of temperature dependences and isotopic effects of the linear H exchange reactions with a number of typical potential energy surfaces yields for the reaction barrier a value significantly higher than that given by simple one-dimensional barrier penetrability calculations. © 1979.