Study on the rearrangement reaction of singlet diiodovinylidene using AM1 method

被引：0
|
作者：
Shi, F [1 ]
机构：
[1] Shandong Teachers Univ, Jinan 250014, Peoples R China
来源：
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY | 1999年 / 18卷 / 03期
关键词：
AM1; I2C=C; IC CI; mechanism of the reaction; thermodynamic properties; kinetic properties;
D O I：
暂无
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
The mechanism of the rearrangement reaction of singlet diiodovinylidene has been studied using AM1 method of quantum chemistry. The result shows that the transition state of the rearrangement reaction is a three-member ring structure. According to the results of AM1, the thermodynamic and kinetic properties of the rearrangement reaction have been calculated, the results shows that this reaction is exothermic and the heat is about 250 kJ/mol.
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页码：232 / 235
页数：4
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