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题名: Quenching of OH(A(2)Sigma(+)) by H-2 through Conical Intersections: Highly Excited Products in Nonreactive Channel
作者: Zhang, Pei-Yu1;  Lu, Rui-Feng1;  Chu, Tian-Shu1;  Han, Ke-Li1
刊名: JOURNAL OF PHYSICAL CHEMISTRY A
发表日期: 2010-06-24
DOI: 10.1021/jp1024069
卷: 114, 期:24, 页:6565-6568
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical ;  Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Chemistry ;  Physics
英文摘要: Nonadiabatic quantum scattering calculations have been carried out for the reactive and nonreactive quenching of OH(A(2)E(+)) in collisions with molecular H-2 on two new potential energy surfaces of the 1A' and 2A' states. Integral cross sections of the reactive and nonreactive quenching channels and the quantum state distributions of the nonreactive channel have been obtained. The theory reveals a high degree of rotational excitation of the quenched OH((XII)-I-2) products and vibrational excitation of the H-2 products. The calculated results are in good agreement with the existing experimental data. The topography of the potential energy surfaces in the conical intersection regions is provided in order to discuss the origin of the internal excitations of nonreactive products and the branching of the reactive and nonreactive channels.
关键词[WOS]: QUANTUM CALCULATIONS ;  VIBRATIONAL DISTRIBUTIONS ;  MODE SPECIFICITY ;  4-ATOM REACTION ;  OH ;  ENERGY ;  (2)SIGMA(+) ;  HYDROGEN ;  OD
语种: 英语
WOS记录号: WOS:000278805700002
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/141776
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China

Recommended Citation:
Zhang, Pei-Yu,Lu, Rui-Feng,Chu, Tian-Shu,et al. Quenching of OH(A(2)Sigma(+)) by H-2 through Conical Intersections: Highly Excited Products in Nonreactive Channel[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2010,114(24):6565-6568.
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