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

被引：7

作者：

Zhang, Lu-Lu ^{[1
]}

Gao, Shou-Bao ^{[1
]}

Song, Yu-Zhi ^{[1
]}

Yue, Da-Guang ^{[1
]}

Chen, Guo-Meng ^{[1
]}

Meng, Qing-Tian ^{[1
]}

机构：

[1] Shandong Normal Univ, Sch Phys & Elect, Jinan 250014, Shandong, Peoples R China

来源：

CANADIAN JOURNAL OF PHYSICS | 2017年 / 95卷 / 12期

基金：

中国博士后科学基金; 中国国家自然科学基金;

关键词：

isotopic substitution effect; C plus SH reaction; quasi-classical trajectory; integral cross sections; stereodynamics; PRODUCT ROTATIONAL POLARIZATION; CROSSED-BEAM REACTION; HYDROGEN-SULFIDE; ATOMIC CARBON; GROUND-STATE; HCS; DYNAMICS; MOLECULES; CONSTANTS; CH2S;

D O I：

10.1139/cjp-2017-0200

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

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(X(2)A') (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(theta(r)), P(phi(r)) at different collision energies are investigated. It is found that the peaks of P(theta(r)) and P(phi(r)) become lower with the reagent molecule SH turning into SD and ST.

引用

页码：1219 / 1224

页数：6

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