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

- The stereodynamics of the S(3P) + H2 → SH + H reaction are firstly studied employing Quasi-classical trajectory method.
- The distribution functions DCS, P(θr),P(ϕr) and P(θr,ϕr) are presented.
- The influences of collision energy on the stereodynamics of the title reaction are investigated in detail.
- The title reaction is dominated by the direct reaction mechanism.

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 2.2 eV. The calculated results indicate that the collision energy plays an important role in the stereodynamics of the title reaction.