Theoretical insight into the effect of collision energy on the S(3P) + SH(X2∏) → S2(X3∑g−) + H(2S) reaction

Abstract

In this work, the dynamics of reaction S(3P) + SH(X2∏) → S2(X3∑g−) + H(2S) has been investigated using quasi-classical trajectories method on a newly constructed accurate double many-body expansion potential energy surface of Song et al. [J. Phys. Chem. A 115, 5274 (2011)]. The integral cross section and the rate constant are obtained. Furthermore, the distribution reflecting vector correlation and the polarization-dependent differential cross section are investigated. The results show a decreasing behavior of the integral cross section as the increasing of the collision energy, and dominate complex forming mechanism at lower energies, as well as the stripping mechanism at higher energies. Those results indicate that the product S2 is sensitively affected by the collision energy.