Effects of the Reagent Rotational Excitation on the Stereodynamics of the Reaction $C(^3P)+CH(X^2\Pi)→C_2+H$

Authors

  • Jia Liu School of Physics and Optoelectronics Engineering, Ludong University, Yantai 264025, China
  • Meishan Wang School of Physics and Optoelectronics Engineering, Ludong University, Yantai 264025, China
  • Aihua Gao School of Physics and Optoelectronics Engineering, Ludong University, Yantai 264025, China
  • Chuanlu Yang School of Physics and Optoelectronic Engineering, Ludong University, Yantai 264025, People’s Republic of China
  • Xiaolin Sui School of Physics and Optoelectronics Engineering, Ludong University, Yantai 264025, China
  • Zhenhua Gao School of Physics and Optoelectronics Engineering, Ludong University, Yantai 264025, China

DOI:

https://doi.org/10.4208/jams.040215.051615a

Keywords:

stereodynamics, QCT method, rotation excitation, rotational alignment, reaction mechanism.

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 $$ 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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Published

2015-06-01

Issue

Vol. 6 No. 2 (2015)

Section

Articles