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题名: Theoretical study on the formation mechanism of Iso-CH2I-Cl
作者: Yang, GH;  Meng, QT;  Zhang, X;  Han, KL
关键词: dissociation reaction of CH2ClI ;  formation of iso-CH2I-Cl ;  isomerization reaction of CH2ClI ;  quantum chemistry calculation
刊名: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
发表日期: 2004-03-15
DOI: 10.1002/qua.10767
卷: 97, 期:2, 页:719-724
收录类别: SCI
文章类型: Article
项目归属: 1101
产权排名: 1;1
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical ;  Mathematics, Interdisciplinary Applications ;  Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Chemistry ;  Mathematics ;  Physics
英文摘要: The dissociation and isomerization reaction mechanism on the ground-state potential energy surface for CH2ClI are investigated by ab initio calculations. It is found that the isomer iso-CH2I-Cl can be produced from either the recombination of the photodissociation. fragments or the isomerization reaction of CH2ClI, rather than from isomerization reaction of iso-CH2Cl-I. Further explanations of experimental results are also presented. (C) 2003 Wiley Periodicals, Inc.
关键词[WOS]: RESONANCE RAMAN OBSERVATION ;  DIRECT PHOTODISSOCIATION REACTION ;  A-BAND PHOTODISSOCIATION ;  SOLUTION-PHASE ;  ORGANIC TRACES ;  PHOTOISOMERIZATION ;  SOLVATION ;  DYNAMICS ;  DIHALOMETHANES ;  PHOTOPRODUCT
语种: 英语
原文出处: 查看原文
WOS记录号: WOS:000189036300003
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/81839
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, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Ctr Computat Chem, Dalian 116023, Peoples R China

Recommended Citation:
Yang, GH,Meng, QT,Zhang, X,et al. Theoretical study on the formation mechanism of Iso-CH2I-Cl[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,2004,97(2):719-724.
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