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The intramolecular hydrogen atom transfer in the photodissociation of o-chlorotoluene
Deng, WQ; Han, KL; Zhan, JP; He, GZ; Lou, NQ
刊名CHEMICAL PHYSICS LETTERS
1998-03-27
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
关键词[WOS]PHOTO-DISSOCIATION ; ENERGY ; PHOTOFRAGMENTATION ; CHLOROBENZENE ; FRAGMENT ; GLYOXAL
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.
语种英语
WOS记录号WOS:000072935400018
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被引频次:4[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/138118
专题中国科学院大连化学物理研究所
作者单位Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
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GB/T 7714
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.
APA Deng, WQ,Han, KL,Zhan, JP,He, GZ,&Lou, NQ.(1998).The intramolecular hydrogen atom transfer in the photodissociation of o-chlorotoluene.CHEMICAL PHYSICS LETTERS,285(5-6),404-409.
MLA Deng, WQ,et al."The intramolecular hydrogen atom transfer in the photodissociation of o-chlorotoluene".CHEMICAL PHYSICS LETTERS 285.5-6(1998):404-409.
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