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题名: Trapped Abstraction in the O(D-1) + CHD3 -> OH + CD3 Reaction
作者: Yang, Jiayue1;  Shao, Kejie1;  Zhang, Dong1;  Shuai, Quan1;  Fu, Bina1;  Zhang, Dong H.1;  Yang, Xueming1
刊名: JOURNAL OF PHYSICAL CHEMISTRY LETTERS
发表日期: 2014-09-18
DOI: 10.1021/jz5016923
卷: 5, 期:18, 页:3106-3111
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences ;  Technology
类目[WOS]: Chemistry, Physical ;  Nanoscience & Nanotechnology ;  Materials Science, Multidisciplinary ;  Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Chemistry ;  Science & Technology - Other Topics ;  Materials Science ;  Physics
英文摘要: Despite significant progress made in past decades, it is still challenging to elucidate dynamics mechanisms for polyatomic reactions, in particular, involving complex formation. The reaction of O(D-1) with methane has long been regarded as a prototypical polyatomic system of direct insertion reaction in which the O(D-1) atom can insert into the C-H bond of methane to form a "hot" methanol intermediate before decomposition. Here, we report a combined theoretical and experimental study on the O(D-1) + CHD3 reaction, on which good agreement between theory and experiment is achieved. Our study revealed that this complex-forming reaction actually proceeds via a trapped abstraction mechanism, rather than an insertion mechanism as has long been thought. We anticipate that this reaction mechanism should also be responsible for the reaction of O(D-1) with ethane and propane, as well as many other chemical reactions with deep wells in the interaction region.
关键词[WOS]: POTENTIAL-ENERGY SURFACES ;  FORMING BIMOLECULAR REACTIONS ;  CROSSED MOLECULAR-BEAM ;  AB-INITIO ;  INSERTION REACTION ;  REACTION DYNAMICS ;  COLLISION ENERGY ;  4-ATOM REACTION ;  CLO+H REACTIONS ;  CHLORINE ATOM
语种: 英语
WOS记录号: WOS:000343067700005
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/145643
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:
Yang, Jiayue,Shao, Kejie,Zhang, Dong,et al. Trapped Abstraction in the O(D-1) + CHD3 -> OH + CD3 Reaction[J]. JOURNAL OF PHYSICAL CHEMISTRY LETTERS,2014,5(18):3106-3111.
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