Multichannel reaction of C2Cl3+O-2 studied by time-resolved Fourier transform infrared emission spectroscopy

doi:10.1021/jp074058c

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	Multichannel reaction of C2Cl3+O-2 studied by time-resolved Fourier transform infrared emission spectroscopy
	Tiancheng Xiang ; Kunhui Lin ; Shaolei Zhao ; Hongmei Su ; Fanao Kong ; Baoshan Wang
刊名	JOURNAL OF PHYSICAL CHEMISTRY A
	2007-09-27
卷号	111 期号:38 页码:9606-9612
ISSN号	1089-5639
DOI	10.1021/jp074058c
英文摘要	The multichannel reaction of the C2Cl3 radical with O-2 has been studied thoroughly by step-scan time-resolved Fourier transform infrared emission spectroscopy. Vibrationally excited products Of Cl2CO, CO, and CO2 are observed and three major reaction channels forming respectively CICO + Cl2CO, CO + CCl3O, and CO2 + CCl3 are identified. The vibrational state distribution of the product CO is derived from the spectral fitting, and the nascent average vibrational energy of CO is determined to be 59.9 kJ/mol. A surprisal analysis is applied to evaluate the vibrational energy disposal, which reveals that the experimentally measured CO vibrational energy is much more than that predicted by statistical model. Combining previous ab initio calculation results, the nonstatistical dynamics and mechanism are characterized to be barrierless addition-elimination via short-lived reaction intermediates including the peroxy intermediate C2Cl3OO* and a crucial three-member-ring COO intermediate.
语种	英语
出版者	AMER CHEMICAL SOC
WOS记录号	WOS:000249655600056
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/60983]
专题	中国科学院化学研究所
通讯作者	Hongmei Su
作者单位	1.Chinese Acad Sci, Inst Chem, Beijing Natl Lab Mol Sci, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China 2.Wuhan Univ, Coll Chem & Mol Sci, Wuhan 430072, Peoples R China
推荐引用方式 GB/T 7714	Tiancheng Xiang,Kunhui Lin,Shaolei Zhao,et al. Multichannel reaction of C2Cl3+O-2 studied by time-resolved Fourier transform infrared emission spectroscopy[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2007,111(38):9606-9612.
APA	Tiancheng Xiang,Kunhui Lin,Shaolei Zhao,Hongmei Su,Fanao Kong,&Baoshan Wang.(2007).Multichannel reaction of C2Cl3+O-2 studied by time-resolved Fourier transform infrared emission spectroscopy.JOURNAL OF PHYSICAL CHEMISTRY A,111(38),9606-9612.
MLA	Tiancheng Xiang,et al."Multichannel reaction of C2Cl3+O-2 studied by time-resolved Fourier transform infrared emission spectroscopy".JOURNAL OF PHYSICAL CHEMISTRY A 111.38(2007):9606-9612.