A semiclassical model for intramolecular vibrational relaxation of local mode overtone in polyatomic molecules

Abstract

A combination of the semiclassical perturbation (SCP) approximation and a kinetic coupling model gives rise to simple analytic formulae for the description of local mode overtone absorption spectra and the associated intramolecular vibrational relaxation in polyatomic molecules. Application to the CH(CD) stretch local mode overtones of C6H6 (C6D6) gives results which are in reasonable agreement with experimental observations. The SCPkinetic coupling model is thus seen to provide a very useful description of this intramolecular dynamics.