Effect of vibrational and rotational excitation on the stereodynamics of the C(1D) + H2 (v, j) → CH plus H reaction

被引：0

作者：

Kang, Li-hua ^{[1
]}

Zhang, Shan-zheng ^{[1
]}

Zhu, Mingyuan ^{[1
]}

Dai, Bin ^{[1
]}

机构：

[1] Shihezi Univ, Key Lab Green Proc Chem Engn Xinjiang Bingtuan, Sch Chem & Chem Engn, Shihezi 832003, Xinjiang, Peoples R China

来源：

CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE | 2011年 / 89卷 / 10期

关键词：

quasi-classical trajectory; potential energy surface; stereodynamics; QUANTUM WAVE-PACKET; ANGULAR-MOMENTUM POLARIZATION; POTENTIAL-ENERGY SURFACE; INITIATED BIMOLECULAR REACTIONS; CROSSED MOLECULAR-BEAM; CHEMICAL-REACTIONS; PRODUCT POLARIZATION; STATISTICAL-THEORY; SCATTERING-ANGLE; RATE CONSTANTS;

D O I：

10.1139/V11-098

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The stereodynamics of the title reaction on the ab initio(1)A' potential energy surface (PES) (B. Bussery-Honvault, P. Honvault, and J.-M. Launay. 2001. J. Chem. Phys. 115: 10701) at a collision energy of 16 kJ/mol have been studied using quasi-classical trajectory (QCT) method. Vector properties including angular momentum alignment parameters and four polarization-dependent differential cross sections (PDDCS) of the product CH are presented. Furthermore, the influence of reagent. vibrational and rotational excitations on the product vector properties have also been studied in the present work. The calculated results indicate that the angle distributions of the CH product are mainly dominated by backward-forward scattering.

引用

页码：1283 / 1288

页数：6

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