Quantum state-resolved dynamical study for the S+ + HD(v0=2, j0=0) → SD+/SH+ + H/D reaction

被引：3

作者：

Bai, Jing ^{[1
]}

Yuan, Fangyuan ^{[2
]}

Zhang, Yong ^{[3
]}

机构：

[1] Dalian Vocat & Tech Coll, Dalian 116035, Peoples R China

[2] Weifang Technol & Sci Univ, Shouguang 262700, Peoples R China

[3] Tonghua Normal Univ, Dept Phys, Tonghua 134002, Jilin, Peoples R China

来源：

EUROPEAN PHYSICAL JOURNAL D | 2022年 / 76卷 / 01期

关键词：

POTENTIAL-ENERGY SURFACES; DEPENDENCE; BEAMS; FIT;

D O I：

10.1140/epjd/s10053-021-00325-y

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

The dynamics studies of the S+ + HD(v(0) = 2, j(0) = 0) -> SD+/SH+ + H/D reaction have been carried out using time-dependent wave packet method based on the potential energy surface reported by Zhu et al. (Phys Chem Chem Phys 23:4757, 2021) in the collision energy that range up to 2.0 eV. Some dynamics properties are reported at state-to-state level of theory such as integral cross section, rovibrational state distribution of product and so on. The results indicated that the S+ + HD(v(0) = 2, j(0) = 0) -> SD+ + H is the main reaction channel, which is consistent with previous theory and experiment studies. The differential cross section shows that the stripping mechanism dominates the SH+ + D channel due to the high J value. The backward scattering signals of the SD+ + H channel are mainly contributed by the first vibrational excited state of product.

引用

页数：8

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