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EHT-CALCULATION OF CONFORMATION IN EXO-METHYLENECYCLOPENTANE AND 1-METHYLCYCLOPENTENE

被引：11
作者：
SCHOLZ, M
KOHLER, HJ
机构：
来源：
TETRAHEDRON | 1969年 / 25卷 / 09期
关键词：
D O I：
10.1016/S0040-4020(01)82807-6
中图分类号：
O62 [有机化学];
学科分类号：
070303 ; 081704 ;
摘要：
An attempt has been made to estimate the most stable equilibrium conformations of exo-methylenecyclopentane and 1-methyl-cyclopentene by means of the EHT-method. The efficiency of this method has been investigated regarding the calculation of the energy differences between endo-exo-cyclic olefinic isomers. The forms E and G are the most stable equilibrium conformations of the compounds mentioned. The calculated energy difference of 4·29 kcal between the both endo-exo-isomers is in good agreement with the experimental value of 3·9 kcal. The complete population analysis and the total energies are given for all considered conformations. © 1969.
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页码：1863 / &
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