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题名: Experimental and theoretical investigations of the O(D-1) reaction with cyclopropane
作者: Wang, CC;  Shu, J;  Lin, JJ;  Lee, YT;  Yang, XM;  Nguyen, TL;  Mebel, AM
刊名: JOURNAL OF CHEMICAL PHYSICS
发表日期: 2002-05-15
DOI: 10.1063/1.1466468
卷: 116, 期:19, 页:8292-8299
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Physics
英文摘要: In this report, the O(D-1)+c-C3H6 reaction has been investigated using the universal crossed molecular beam technique. Angular resolved time-of-flight spectra have been measured for the observed reaction products in a single set of experiments. Four reaction channels have been observed clearly for this reaction. In addition to the OH+C3H5 channel, the two microchannels for C2H4 formation and the H-atom formation channel are also present. Different product angular distributions were measured for the observed product channels, indicating that each reaction channel occurs with distinctive dynamics. Branching ratios for all observed reaction channels have also been estimated. High-level theoretical calculations have been performed on the energetics of this reaction, indicating two major insertion pathways are likely responsible for most of the reaction channels. (C) 2002 American Institute of Physics.
关键词[WOS]: DENSITY-FUNCTIONAL THERMOCHEMISTRY ;  QUADRATIC CONFIGURATION-INTERACTION ;  POTENTIAL-ENERGY SURFACE ;  COUPLED-CLUSTER SINGLES ;  VIBRATIONAL DISTRIBUTION ;  GAUSSIAN-2 ;  O(1D2) ;  CH3 ;  HYDROCARBONS ;  O((1)D)
语种: 英语
WOS记录号: WOS:000175297600007
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/139142
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.Acad Sinica, Inst Atom & Mol Sci, Hsinchu, Taiwan
2.Natl Tsing Hua Univ, Dept Chem, Hsinchu, Taiwan
3.Chinese Acad Sci, Dalian Inst Chem Phys, Dalian, Peoples R China

Recommended Citation:
Wang, CC,Shu, J,Lin, JJ,et al. Experimental and theoretical investigations of the O(D-1) reaction with cyclopropane[J]. JOURNAL OF CHEMICAL PHYSICS,2002,116(19):8292-8299.
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