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Theo-chlorotoluene photodissociation at 266 nm |
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| Authors: | Weiqiao Deng Jiping Zhan Keli Han Guozhong He Nanquan Lou |
| Affiliation: | (1) State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, 116023 Dalian, China |
| Abstract: | Based on theab initio calculation results, the hydrogen atom transfer has been investigated. In order to explain the experimental results, a new mechanism is proposed, that is, hydrogen transfer occurs before but not after CI atom eliminates from aromatic ring. The calculation result strongly supports this mechanism. |
| Keywords: | o-chlorotoluene photodissociation at 266 nm transfer of H atom energy barrier B3LYP ab initio calculation |
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