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Experimental and theoretical investigations of the O(D-1) reaction with cyclopropane
Wang, CC; Shu, J; Lin, JJ; Lee, YT; Yang, XM; Nguyen, TL; Mebel, AM
Source PublicationJOURNAL OF CHEMICAL PHYSICS
2002-05-15
DOI10.1063/1.1466468
Volume116Issue:19Pages:8292-8299
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectPhysics, Atomic, Molecular & Chemical
WOS Research AreaPhysics
WOS KeywordDENSITY-FUNCTIONAL THERMOCHEMISTRY ; QUADRATIC CONFIGURATION-INTERACTION ; POTENTIAL-ENERGY SURFACE ; COUPLED-CLUSTER SINGLES ; VIBRATIONAL DISTRIBUTION ; GAUSSIAN-2 ; O(1D2) ; CH3 ; HYDROCARBONS ; O((1)D)
AbstractIn 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.
Language英语
WOS IDWOS:000175297600007
Citation statistics
Cited Times:9[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/139142
Collection中国科学院大连化学物理研究所
Affiliation1.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
GB/T 7714
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.
APA Wang, CC.,Shu, J.,Lin, JJ.,Lee, YT.,Yang, XM.,...&Mebel, AM.(2002).Experimental and theoretical investigations of the O(D-1) reaction with cyclopropane.JOURNAL OF CHEMICAL PHYSICS,116(19),8292-8299.
MLA Wang, CC,et al."Experimental and theoretical investigations of the O(D-1) reaction with cyclopropane".JOURNAL OF CHEMICAL PHYSICS 116.19(2002):8292-8299.
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