A theoretical study on the mechanism of iodine-photocatalyzed cis-trans isomerization of stilbene

被引：4

作者：

Zyubina, TS ^{[1
]}

Razumov, VF ^{[1
]}

机构：

[1] Russian Acad Sci, Inst Problems Chem Phys, Chernogolovka 142432, Moscow Oblast, Russia

来源：

HIGH ENERGY CHEMISTRY | 2001年 / 35卷 / 02期

基金：

俄罗斯基础研究基金会;

关键词：

D O I：

10.1023/A:1004169422225

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Based on nonempirical quantum-chemical calculations, the mechanism of iodine-photocatalyzed cis-trans isomerization of stilbene was detailed. The formation of the complex of atomic iodine with a stilbene molecule was found to be an essential intermediate step that had been ignored in the earlier considerations. According to the calculation results, the rate-limiting step of the process is the transition from the complex to the 1,2-diphenyl-2 iodoethyl radical.

引用

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页码：100 / 106

页数：7

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