Year: 2016
Author: Zhenhua Gao, Meishan Wang, Zhen Wang
Journal of Atomic and Molecular Sciences, Vol. 7 (2016), Iss. 2 : pp. 104–114
Abstract
The stereodynamics of reaction $H + NeH^+ (v=0, j=0) → H + NeH^+$ is studied on a new potential energy surface (PES) constructed by Lü et al., using the quasiclassical trajectory (QCT) method. The influence of collision energy for the reaction $H + NeH^+ (v=0, j=0) → H + NeH^+$ has been studied. The distributions of $P(θ_r),$ $P(\phi_r)$ and PDDCSs have been calculated at four different collision energies. It can be found that the product rotational angular momentum $j'$ aligned along the y-axis. Moreover, the product rotational angular momentum vector $j'$ is preferentially oriented along the positive direction of y-axis at low collision energy, but preferentially oriented along the negative direction of y-axis at high collision energy. The results indicate the collision energy plays an important part in the stereodynamics of the title reaction.
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Journal Article Details
Publisher Name: Global Science Press
Language: English
DOI: https://doi.org/10.4208/jams.030315.041116a
Journal of Atomic and Molecular Sciences, Vol. 7 (2016), Iss. 2 : pp. 104–114
Published online: 2016-01
AMS Subject Headings: Global Science Press
Copyright: COPYRIGHT: © Global Science Press
Pages: 11
Keywords: vector correlation QCT method polarization alignment exchange reaction.