Quantum chemical study on the thermal Diels-Alder reaction of cyclohexadiene and methyl crotonate

被引：0
|
作者：
Li, YH
Hong, SG
Wang, S
Peng, YY
机构：
来源：
CHINESE JOURNAL OF CHEMISTRY | 1997年 / 15卷 / 01期
关键词：
thermal Diels-Alder reaction; concerted and radical pathways; transition state; UHF/AM1; method;
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
AM1 molecular orbital method using the unrestricted Hartree-Fock(UHF) calculations has been applied to investigate the thermal reaction of cyclohexadiene and methyl crotonate. The calculated results indicate that the thermal Diels-Alder reaction proceeds to product through the concerted path and two radical pathways.
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页码：21 / 24
页数：4
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