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题名: The intramolecular hydrogen atom transfer in the photodissociation of o-chlorotoluene
作者: Deng, WQ;  Han, KL;  Zhan, JP;  He, GZ;  Lou, NQ
刊名: CHEMICAL PHYSICS LETTERS
发表日期: 1998-03-27
卷: 285, 期:5-6, 页:404-409
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical ;  Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Chemistry ;  Physics
英文摘要: Based on ab initio calculated results, a new mechanism is proposed that intramolecular hydrogen atom transfer may occur during the photodissociation of o-chlorotoluene at 266 nm. This mechanism is different from the general suggestion, i.e. (1) o-chlorotoluene (S-1) --> o-chlorotoluene (T-1) --> Cl + o-tolyl --> benzyl + Cl. Our suggestion is (2) o-chlorotoluene(S-1) --> o-chlorotoluene (T-1,S-0) --> 5-methylene-6-chloro-1,3-cyclohexadiene(MCC) (S-0) --> benzyl + Cl. Our results show that the energy barrier of the rearrangement from o-tolyl to benzyl in path (1) is too high to be overcome, but the intramolecular H atom transfer of o-chlorotoluene in path (2) may be more reasonable. (C) 1998 Elsevier Science B.V.
关键词[WOS]: PHOTO-DISSOCIATION ;  ENERGY ;  PHOTOFRAGMENTATION ;  CHLOROBENZENE ;  FRAGMENT ;  GLYOXAL
语种: 英语
WOS记录号: WOS:000072935400018
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/138118
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, Dalian 116023, Peoples R China

Recommended Citation:
Deng, WQ,Han, KL,Zhan, JP,et al. The intramolecular hydrogen atom transfer in the photodissociation of o-chlorotoluene[J]. CHEMICAL PHYSICS LETTERS,1998,285(5-6):404-409.
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