Effects of the Reagent Rotational Excitation on the Stereodynamics of the Reaction $C(^3P)+CH(X^2\Pi)→C_2+H$
Year: 2015
Author: Jia Liu, Meishan Wang, Aihua Gao, Chuanlu Yang, Xiaolin Sui, Zhenhua Gao
Journal of Atomic and Molecular Sciences, Vol. 6 (2015), Iss. 2 : pp. 129–136
Abstract
Based on the 1²A" 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 $<P_2(j'⋅k)>$ 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.
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Journal Article Details
Publisher Name: Global Science Press
Language: English
DOI: https://doi.org/10.4208/jams.040215.051615a
Journal of Atomic and Molecular Sciences, Vol. 6 (2015), Iss. 2 : pp. 129–136
Published online: 2015-01
AMS Subject Headings: Global Science Press
Copyright: COPYRIGHT: © Global Science Press
Pages: 8
Keywords: stereodynamics QCT method rotation excitation rotational alignment reaction mechanism.