The stereodynamics study on the isotopic substitution C+SH(D,T) → H(D,T)+CS reactions on the new HCS(X2A′) potential energy surface

The quasi-classical trajectory calculations are carried out to investigate the isotopic substitution effect on title reactions based on the recently developed, accurate potential energy surface of the HCS(X2A') (Song, Zhang, et al. Sci. Rep. 6, 37734 (2016)). The total integral cross sections (ICSs) and vibrational state resolved ICSs are obtained for C + SH(D, T) → H(D, T) + CS reactions. In addition, differential cross sections and two angle distribution functions P(θr), P(r) at different collision energies are investigated. It is found that the peaks of P(θr) and P(r) become lower with the reagent molecule SH turning into SD and ST.The accepted manuscript in pdf format is listed with the files at the bottom of this page. The presentation of the authors' names and (or) special characters in the title of the manuscript may differ slightly between what is listed on this page and what is listed in the pdf file of the accepted manuscript; that in the pdf file of the accepted manuscript is what was submitted by the author