Molecular Relaxation Processes in Triatomic Molecules. I. T–V Transition Probabilities in the CO2–He System

Abstract

A classical method is presented for calculating translational–vibrational energy exchange between a colliding atom and linear triatomic molecule. The method entails a rigorous solution of the equations of motion of the four particles interacting in two dimensions. The interaction potential is described by three independent, atom–atom, Morse‐type potential functions. Computersolutions provide the probabilities of the T–V energy‐transfer processes associated with the three normal vibrational modes of the triatomic molecule. The method is demonstrated on the CO2–He system. Results show good agreement with the experimental data for excitation of the bending mode and are in accord with SSH theory predictions for excitation of the longitudinal modes.