Volume 7, Issue 2
Theoretical Study on Stereodynamics of $H + NeH^+ (v=0, j=0) → NeH^ +H$ Reaction

Zhenhua Gao, Meishan Wang & Zhen Wang

J. At. Mol. Sci., 7 (2016), pp. 104-114.

Published online: 2016-07

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  • 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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COPYRIGHT: © Global Science Press

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mswang1971@163.com (Meishan Wang)

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@Article{JAMS-7-104, author = {Gao , ZhenhuaWang , Meishan and Wang , Zhen}, title = {Theoretical Study on Stereodynamics of $H + NeH^+ (v=0, j=0) → NeH^ +H$ Reaction}, journal = {Journal of Atomic and Molecular Sciences}, year = {2016}, volume = {7}, number = {2}, pages = {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.

}, issn = {2079-7346}, doi = {https://doi.org/10.4208/jams.030315.041116a}, url = {http://global-sci.org/intro/article_detail/jams/8139.html} }
TY - JOUR T1 - Theoretical Study on Stereodynamics of $H + NeH^+ (v=0, j=0) → NeH^ +H$ Reaction AU - Gao , Zhenhua AU - Wang , Meishan AU - Wang , Zhen JO - Journal of Atomic and Molecular Sciences VL - 2 SP - 104 EP - 114 PY - 2016 DA - 2016/07 SN - 7 DO - http://doi.org/10.4208/jams.030315.041116a UR - https://global-sci.org/intro/article_detail/jams/8139.html KW - vector correlation, QCT method, polarization, alignment, exchange reaction. AB -

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.

Gao , ZhenhuaWang , Meishan and Wang , Zhen. (2016). Theoretical Study on Stereodynamics of $H + NeH^+ (v=0, j=0) → NeH^ +H$ Reaction. Journal of Atomic and Molecular Sciences. 7 (2). 104-114. doi:10.4208/jams.030315.041116a
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