Volume 6, Issue 2
Effects of the Reagent Rotational Excitation on the Stereodynamics of the Reaction $C(^3P)+CH(X^2\Pi)→C_2+H$

Jia Liu, Meishan Wang, Aihua Gao, Chuanlu Yang, Xiaolin Sui & Zhenhua Gao

J. At. Mol. Sci., 6 (2015), pp. 129-136.

Published online: 2015-06

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  • 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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COPYRIGHT: © Global Science Press

  • Email address

mswang1971@163.com (Meishan Wang)

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@Article{JAMS-6-129, author = {Liu , JiaWang , MeishanGao , AihuaYang , ChuanluSui , Xiaolin and Gao , Zhenhua}, title = {Effects of the Reagent Rotational Excitation on the Stereodynamics of the Reaction $C(^3P)+CH(X^2\Pi)→C_2+H$}, journal = {Journal of Atomic and Molecular Sciences}, year = {2015}, volume = {6}, number = {2}, pages = {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.

}, issn = {2079-7346}, doi = {https://doi.org/10.4208/jams.040215.051615a}, url = {http://global-sci.org/intro/article_detail/jams/8219.html} }
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 -

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.

Liu , JiaWang , MeishanGao , AihuaYang , ChuanluSui , Xiaolin and Gao , Zhenhua. (2015). Effects of the Reagent Rotational Excitation on the Stereodynamics of the Reaction $C(^3P)+CH(X^2\Pi)→C_2+H$. Journal of Atomic and Molecular Sciences. 6 (2). 129-136. doi:10.4208/jams.040215.051615a
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