Trajectory studies of hot atom reactions. II. An unrestricted potential for CH5

Abstract

An approximate empirical potential energy hypersurface has been fitted to a combination of experimental results and molecular structural information, by means of a trajectory analysis, without the restrictions imposed in Part I. On the basis of this, predictions are made for the incident energy dependence of the reactive cross sections when the reactants are T+CH₄, T+CD₄, D+CH₄, H+CD₄, and H+CH₄. The scattering properties and some aspects of the energy disposal in these reactions are also examined, and the most characteristic molecular dynamic features of the reactions are described.