Effect of collision energy on cross sections and product alignments for the C(1D) + H2 (v=0, j=0) insertion reactions

被引：4

作者：

Kang, Lihua ^{[1
]}

Dai, Bin ^{[1
]}

机构：

[1] Shihezi Univ, Sch Chem & Chem Engn, Shihezi 832003, Xinjiang, Peoples R China

来源：

CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE | 2010年 / 88卷 / 05期

基金：

中国国家自然科学基金;

关键词：

cross sections; product alignments; insertion reactions; quasi-classical trajectory; QUANTUM WAVE-PACKET; CHEMICAL-REACTION DYNAMICS; MOLECULAR-BEAM EXPERIMENTS; CD/CH BRANCHING RATIO; INSERTION REACTIONS; ROTATIONAL POLARIZATION; EXCITATION-FUNCTIONS; N(D-2)+H-2 REACTION; STATISTICAL-THEORY; RATE CONSTANTS;

D O I：

10.1139/V10-014

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Quasi-classical trajectory (QCT) calculations of total reaction probabilities and vibrationally state-resolved reaction probabilities at total angular momentum J = 0 as a function of collision energy for the C(D-1) + H-2 (v = 0, j = 0) reactions have been performed on an ab initio potential-energy surface [J. Chem. Phys. 2001, 115, 10701]. In addition, the integral cross sections as a function of collision energy have been carried out for the same reaction. The product rotational alignments have also been calculated, which are almost invariant with respect to collision energies.

引用

页码：453 / 457

页数：5

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