Experimental and theoretical studies of the CCl+O-2 reaction

	Experimental and theoretical studies of the CCl+O-2 reaction
	Xiang, Tiancheng; Liu, Kunhui; Shi, Congyun; Su, Hongmei; Kong, Fanao
刊名	chemical physics letters
	2007-03-22
卷号	437 期号:1-3 页码:8-13
英文摘要	elementary 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.
WOS标题词	science & technology ; physical sciences
类目[WOS]	chemistry, physical ; physics, atomic, molecular & chemical
研究领域[WOS]	chemistry ; physics
关键词[WOS]	rate constants ; ccl ; spectroscopy ; radicals ; states
收录类别	SCI
语种	英语
WOS记录号	WOS:000245401200002
公开日期	2015-11-17
内容类型	期刊论文
源URL	[http://159.226.238.44/handle/321008/140439]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
作者单位	Chinese Acad Sci, Inst Chem, BNLMS, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China
推荐引用方式 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.