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 - <p style="text-align: justify;">The stereodynamics of reaction $H + NeH^+&nbsp;(v=0, j=0) → H + NeH^+$ 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 $j&#39;$ aligned along the y-axis. Moreover,
the product rotational angular momentum vector $j&#39;$ 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.</p>