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题名: Reaction of CH2O with O-2
作者: Ma, Hai-Tao;  Shi, Cong-Yun;  Bian, Wen-Sheng;  Su, Hong-Mei;  Kong, Fan-Ao
关键词: FTIR emission spectroscopy ;  vibrationally excited product ;  QCISD
刊名: CHINESE JOURNAL OF CHEMICAL PHYSICS
发表日期: 2007-08-27
DOI: 10.1088/1674-0068/20/04/383-387
卷: 20, 期:4, 页:383-387
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Physics
英文摘要: The elementary reaction of CH2Cl+O-2 in gas phase was investigated by time-resolved FTIR emission spectroscopy. Vibrationally excited products CO (upsilon <= 4), and CO2 (upsilon(3), upsilon <= 7) were observed. The yield ratio Of CO/CO2(upsilon 3) was 72.2 +/- 7. The reaction pathways were studied theoretically at QCISD//UB3LYP/6-311++G(d,p) level. In the beginning of the reaction, CH2Cl radical associated with O-2 to form CH2ClOO, followed by removal of the Cl atom to yield another intermediate dioxirane CH2OO. Subsequently, a series of isomerization and decomposition of the CH2OO took place, yielding the final products of CO and CO2. The calculated result was in consistent with the experimental observation.
关键词[WOS]: 760 TORR ;  ASSOCIATION REACTIONS ;  MOLECULAR-OXYGEN ;  TOTAL PRESSURE ;  KINETICS ;  CCL3 ;  SPECTROSCOPY ;  FTIR ;  THERMOCHEMISTRY ;  RECOMBINATION
语种: 英语
WOS记录号: WOS:000249465100009
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/140715
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China

Recommended Citation:
Ma, Hai-Tao,Shi, Cong-Yun,Bian, Wen-Sheng,et al. Reaction of CH2O with O-2[J]. CHINESE JOURNAL OF CHEMICAL PHYSICS,2007,20(4):383-387.
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