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Theoretical Study on Stereodynamics of $H + NeH^+ (v=0, j=0) → NeH^ +H$ Reaction

Theoretical Study on Stereodynamics of $H + NeH^+ (v=0, j=0) → NeH^ +H$ Reaction
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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.

Author Details

Zhenhua Gao

Meishan Wang

Zhen Wang

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