TY - JOUR
T1 - Effects of the Reagent Rotational Excitation on the Stereodynamics of the Reaction $C(^3P)+CH(X^2\Pi)→C_2+H$
AU - Liu , Jia
AU - Wang , Meishan
AU - Gao , Aihua
AU - Yang , Chuanlu
AU - Sui , Xiaolin
AU - Gao , Zhenhua
JO - Journal of Atomic and Molecular Sciences
VL - 2
SP - 129
EP - 136
PY - 2015
DA - 2015/06
SN - 6
DO - http://doi.org/10.4208/jams.040215.051615a
UR - https://global-sci.org/intro/article_detail/jams/8219.html
KW - stereodynamics, QCT method, rotation excitation, rotational alignment, reaction mechanism.
AB - <p style="text-align: justify;">Based on the 1²A&quot; global three-dimensional adiabatic potential energy surface
[Boggio-Pasqua et al., Phys Chem. Chem. Phys 2:1693-2000], a theoretical study
of the stereodynamics of the reaction $C(^3P)+CH(X^2\Pi) (v=0; j=0$-$6)$ has been performed
using the quasi-classical trajectories(QCT) method. The cross sections are caculated.
The differential cross sections (DCSs) and the distributions of $P(θ_r),$ $P(\phi_r)$ are pensented
in detail at the selected collision energy of 0.3 eV. The product rotational alignment parameter $&lt;P_2(j&#39;⋅k)&gt;$ are also obtained as a function of the regent rotational quantum
number. The results show that the reagent rotational excitation plays an important role
in the title reaction.</p>