Temperature dependence of the vibrational self-relaxation (ν2) of group VI hydrides and deuterides

Abstract

Self-relaxation probabilities for vibrational (ν₂, 1 → 0) deactivation of Group VI hydrides and deuterides in the gas phase have been calculated for temperatures from 55 to 3000 K. A semi-classical (V–R) approach has been used. Parabolic curves with a minimum at a specific temperature have been found for all the systems. The temperatures of the minima have been plotted against the potential well depths of the examined molecules and a relation between them has been established. The theoretical data have been analysed and discussed with reference to experimental results available in the literature.