A comparison of the stereo-dynamical information between S(~1D) + H_2 and S(~1D) + HD Reactions

摘要

Studies on the stereo-dynamical of the reaction S(~1D) + H2 and its isotopic variants have been performed using quasi-classical trajectory (QCT) method on a globally smooth ab initio potential surface of the 1A0 state which is produced by Ho et al. [11] at the collision energy of 0–22.0 kcal/mol. We present the reaction cross section as a function of collision energy, which show satisfactory agreement in the reaction cross section of Ho et al. [11]. Four polarization dependent generalized differential cross-sections (PDDCSs) have been calculated in the center-of-mass frame. Comparisons of the distributions P(θ_r), P(φ_r) and P(θ_r, φ_r), which denotes respectively the distribution of angles between k and j', the distribution of dihedral angle denoting k–k'–j' correlation and the angular distribution of product rotational vectors in the form of polar plots, are given for the isotopic variants and collision energies.