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Effects of the Reagent Rotational Excitation on the Stereodynamics of the Reaction C(3P)+CH(X2Π)C2+H

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(X2Π)(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(θr), P(ϕr) are pensented in detail at the selected collision energy of 0.3 eV. The product rotational alignment parameter <P2(jk)> 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.

Author Details

Jia Liu Email

Meishan Wang Email

Aihua Gao Email

Chuanlu Yang Email

Xiaolin Sui Email

Zhenhua Gao Email