Epoxidation of 1-Substituted 3-Cyclohexenes. Theoretical and Experimental Investigation

被引：0
|
作者：
S. I. Okovityi
R. G. Gaponova
Yu. A. Seredyuk
L. I. Kas'yan
机构：
[1] Dnepropetrovsk State University,
来源：
Russian Journal of Organic Chemistry | 2002年 / 38卷
关键词：
Spectroscopy; Organic Chemistry; Molecular Mechanic; Potential Energy; Energy Surface;
D O I：
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学科分类号：
摘要：
Epoxidation of 1-substituted 3-cyclohexenes was investigated. The stereoisomeric composition of the forming epoxides mixture was established by means of GLC and 1H NMR spectroscopy. The spectral parameters of the epoxides are considered. The thermodynamical stability of cis- and trans-epoxides was evaluated by molecular mechanics method. For the epoxidation of 1-substituted 3-cyclohexenes with peracetic acid was carried out a quantum-chemical calculation of the potential energy surface by PM3 method.
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页码：160 / 164
页数：4
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