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Experimental and theoretical studies of the CCl+O-2 reaction
Xiang, Tiancheng; Liu, Kunhui; Shi, Congyun; Su, Hongmei; Kong, Fanao
Source PublicationCHEMICAL PHYSICS LETTERS
2007-03-22
DOI10.1016/j.cplett.2007.01.086
Volume437Issue:1-3Pages:8-13
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS Research AreaChemistry ; Physics
WOS KeywordRATE CONSTANTS ; CCL ; SPECTROSCOPY ; RADICALS ; STATES
AbstractElementary reaction of CCI radical with oxygen molecule has been investigated by time-resolved Fourier transform infrared emission spectroscopy. Product of CO was observed. The rate constant of this reaction is measured to be 2.6(0.4) x 10(-12) cm(3) molecule(-1) s(-1). It is found that the nascent product of CO is highly vibrationally excited with an average vibrational energy of 17-18 kcal mol(-1). DFT calculations at the B3LYP/6-311G(d) level reveal the reaction mechanism to be mainly a barrierless addition of 0, to CCI leading to a peroxide intermediate IMI (CICOO). The chain-like IMI breaks its O-O bond and Cl-C bond sequentially, forming the product of CO. (c) 2007 Elsevier B.V. All rights reserved.
Language英语
WOS IDWOS:000245401200002
Citation statistics
Cited Times:6[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/140439
Collection中国科学院大连化学物理研究所
AffiliationChinese Acad Sci, Inst Chem, BNLMS, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China
Recommended Citation
GB/T 7714
Xiang, Tiancheng,Liu, Kunhui,Shi, Congyun,et al. Experimental and theoretical studies of the CCl+O-2 reaction[J]. CHEMICAL PHYSICS LETTERS,2007,437(1-3):8-13.
APA Xiang, Tiancheng,Liu, Kunhui,Shi, Congyun,Su, Hongmei,&Kong, Fanao.(2007).Experimental and theoretical studies of the CCl+O-2 reaction.CHEMICAL PHYSICS LETTERS,437(1-3),8-13.
MLA Xiang, Tiancheng,et al."Experimental and theoretical studies of the CCl+O-2 reaction".CHEMICAL PHYSICS LETTERS 437.1-3(2007):8-13.
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