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

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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.

Jia Liu, Meishan Wang, Aihua Gao, Chuanlu Yang, Xiaolin Sui & Zhenhua Gao. (2019). 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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