Experimental and theoretical studies of the CCl+O-2 reaction
文献类型：期刊论文
| 作者 | Xiang, Tiancheng; Liu, Kunhui; Shi, Congyun; Su, Hongmei; Kong, Fanao |
| 刊名 | chemical physics letters
 |
| 出版日期 | 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 |
| 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. |
入库方式： OAI收割
来源：大连化学物理研究所
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