TY - JOUR
T1 - Effect of the Initial Rotational and Vibrational State on the Stereodynamics of $N(^4S)+O_2(X^3\sum^-_g)\rightarrow O(^3P)+NO(X^2\Pi)$ Reaction
AU - Chen , Hai-Liang
AU - Zhang , Zhi-Hong
AU - Yang , Chuan-Lu
AU - Wang , Mei-Shan
AU - Ma , Xiao-Guang
JO - Journal of Atomic and Molecular Sciences
VL - 2
SP - 72
EP - 82
PY - 2015
DA - 2015/06
SN - 6
DO - http://doi.org/10.4208/jams.041015.050915a
UR - https://global-sci.org/intro/article_detail/jams/8201.html
KW - quasiclassical trajectory, vector correlations, stereodynamics, rotational and vibrational excitation.
AB - <p style="text-align: justify;">The stereodynamics of the atom-molecule reaction $N(^4S)+O_2(X^3Σ^-_g) → O(^3P)
+NO(X^2\Pi)$ has been studied using quasi-classical trajectory method with the lowest $^2A&#39;$ potential energy surfaces (PESs) given by Sayós et al. [R. Sayós, C. Oliva, M.
González, J. Chem. Phys. 117 (2002) 670]. Four generalized polarization-dependent
differential cross-sections $[(2π/σ) (dσ_{00}/dω_t),$ $(2π/σ)(dσ_{20}/dω_t),$ $(2π/σ)(dσ_{22+}/dω_t),$ $(2π/σ)(dσ_{21-}/dω_t)]$ and distributions $P(θ_r),$ $P(\phi_r)$ were calculated. The effects of the
different initial rotational and vibrational states were analyzed. It found that the degree
of the forward scatting and the product polarizations show obviously change
along with the initial vibration number, which leads to the increase of alignment and
decrease orientation of product rotational angular momentum $j&#39;.$ Although the influence
of the initial rotational excitation effect on the aligned and oriented distribution of
product is not stronger than that of the initial vibration excitation effect, the initial rotational
excitation makes the alignment of the product rotational angular momentum
small change in a certain range. Moreover, the $P(θ_r)$ distribution and $P(\phi_r)$ distribution
change noticeably by varying the initial vibration number.</p>