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

  • Regular Article – Atomic and Molecular Collisions
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Abstract

The dynamics studies of the S+ + HD(v0 = 2, j0 = 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(v0 = 2, j0 = 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.

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This manuscript has no associated data or the data will not be deposited. [Authors’ comment: If readers want the calculated data, they can contact the corresponding author, and we will share the calculated data.]

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Acknowledgements

This work is supported by Key Projects of Science and Technology in the 13th Five Year Plan of Jilin Provincial Department of Education (Grant Number: JJKH20200482KJ).

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Authors and Affiliations

  1. Dalian Vocational and Technical College, Dalian, 116035, China

    Jing Bai

  2. Weifang Technology and Science University, Shouguang, 262700, China

    Fangyuan Yuan

  3. Department of Physics, Tonghua Normal University, Tonghua, 134002, Jilin, China

    Yong Zhang

Authors
  1. Jing Bai
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  2. Fangyuan Yuan
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  3. Yong Zhang
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Contributions

JB wrote the manuscript and performed the dynamical calculations; F-YY drew the pictures and tables in the article; YZs gave some advices for the reaction mechanism of the two channels.

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Correspondence to Jing Bai.

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Bai, J., Yuan, F. & Zhang, Y. Quantum state-resolved dynamical study for the S+ + HD(v0 = 2, j0 = 0) → SD+/SH+ + H/D reaction. Eur. Phys. J. D 76, 10 (2022). https://doi.org/10.1140/epjd/s10053-021-00325-y

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