Effect of the reagent vibration on stereodynamics of the reaction O(1D) plus HF→F plus OH

被引：27

作者：

Xu Yan ^{[1
]}

Zhao Juan ^{[1
]}

Yue Da-Guang ^{[1
]}

Liu Hao ^{[1
]}

Zheng Xiao-Yun ^{[1
]}

Meng Qing-Tian ^{[1
]}

机构：

[1] Shandong Normal Univ, Coll Phys & Elect, Jinan 250014, Peoples R China

来源：

CHINESE PHYSICS B | 2009年 / 18卷 / 12期

基金：

中国国家自然科学基金;

关键词：

vector correlation; polarization-dependent differential cross section; vibration of the reactant molecule; quasi-classical trajectory; PRODUCT ROTATIONAL POLARIZATION; ANGULAR-MOMENTUM POLARIZATION; POTENTIAL-ENERGY SURFACE; REACTION DYNAMICS; ALIGNMENT; QUANTUM; COLLISIONS; MOLECULES; ATOMS; A+BC;

D O I：

10.1088/1674-1056/18/12/032

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

This paper studies the influence of the reagent vibration on the reaction O(D-1)+HF-->HO+F by using a quasi-classical trajectory method on the new ab initio (1)A' ground singlet potential energy surface (Gomez-Carrasco et al 2007 Chem. Phys. Lett. 435 188-193). The product angular distributions which reflect the vector correlation are calculated. Four polarization-dependent differential cross sections (PDDCSs) which are sensitive to many photoinitiated bimolecular reaction experiments are presented in the center of the mass frame, respectively. The differential cross section indicates that the OH product mainly tends to the forward scattering, and other PDDCSs are also influenced by the vibration levels of HF.

引用

页码：5308 / 5312

页数：5

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