Effects of the collision energy on the stereodynamics of the reaction: S(3P) + H2 (v = 0, j = 0) → SH + H

Abstract

Quasi-classical trajectory calculations are firstly employed to study the stereodynamics of the title reaction on the lowest triplet state (3A″) potential energy surface constructed by Lv et al. (2012) [10]. The calculated reaction probabilities and cross sections are in good agreement with the previous quantum mechanics results. The effects of collision energy on the vector properties including the k–k′ distribution and product polarization are investigated for the v=0 and j=0 states of H2 at Ecol=1.2, 1.4, 1.8 and 2.2eV. The calculated results indicate that the collision energy plays an important role in the stereodynamics of the title reaction.