Quasi-classical trajectory study of the CD/CH product branching ratios for the C( 1D) + HD reaction

Abstract

Quasi-classical trajectory (QCT) calculation of the integral cross-sections and the CD/CH product branching ratios as a function of collision energy for the C( 1D) + HD ( v, j) reaction have been performed on an ab initio potential energy surface (Bussery-Honvault et al. (2001) [8]). Our QCT calculations show that the integral cross-sections and the CD/CH product branching ratios strongly depend on the initial rotation quantum number j and the vibrational quantum number v. The integral cross-sections decrease with the increment of the collision energy. The product vibrational and rotational state distributions are also presented. The calculated results are in general good agreement with experimental data and some previous theoretical results.