O-atom exchange in O(3P) + H2O(1A1) collisions

被引：8

作者：

Braunstein, Matthew ^{[1
]}

Conforti, Patrick F. ^{[1
]}

机构：

[1] Spectral Sci Inc, Burlington, MA 01803 USA

来源：

CHEMICAL PHYSICS LETTERS | 2012年 / 523卷

关键词：

EXCITATION; BEAMS; SPACE;

D O I：

10.1016/j.cplett.2011.12.016

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Global potential energy surfaces for the three lowest electronic triplet states of O(P-3) + H2O((1)A(1)) are used to explore two unusual reaction pathways, not previously identified. Both pathways go through a D-2h rhombus geometry, with zero potential gradient and two imaginary frequencies. Motion along one imaginary frequency leads to O + H2O, while motion along the other leads to OH + OH. In each case, an O-atom is exchanged. Classical trajectory methods are used to compute exchange cross sections up to 11 km s(-1). Transition state theory rate constants for O-atom exchange processes are also computed. (C) 2011 Elsevier B.V. All rights reserved.

引用

收藏

页码：34 / 38

页数：5

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