https://doi.org/10.1140/epjd/s10053-021-00325-y
Regular Article – Atomic and Molecular Collisions
Quantum state-resolved dynamical study for the S+ + HD(v0 = 2, j0 = 0) → SD+/SH+ + H/D reaction
1
Dalian Vocational and Technical College, 116035, Dalian, China
2
Weifang Technology and Science University, 262700, Shouguang, China
3
Department of Physics, Tonghua Normal University, 134002, Tonghua, Jilin, China
Received:
19
October
2021
Accepted:
4
December
2021
Published online:
17
January
2022
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.
© The Author(s), under exclusive licence to EDP Sciences, SIF and Springer-Verlag GmbH Germany, part of Springer Nature 2022
