RELATIVE ENERGIES OF METHYLPHOSPHOLES AND VINYLPHOSPHOLES

被引：12

作者：

BACHRACH, SM

PERRIOTT, L

机构：

[1] Department of Chemistry, Northern Illinois University, DeKalb

来源：

JOURNAL OF ORGANIC CHEMISTRY | 1994年 / 59卷 / 12期

关键词：

D O I：

10.1021/jo00091a030

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

The geometries of all isomers of methylphosphole and three isomers of vinylphosphole (1-vinyl-1H-phosphole, 2-vinyl-2H-phosphole, and 3-vinyl-3H-phosphole) were completely optimized at the HF/6-31G* level. The phosphole ring is minimally perturbed by the substituents. The relative energies of these compounds suggest that substitution is preferred upon phosphorus over carbon to minimize steric interactions between the substituent and the phosphole ring.

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页码：3394 / 3397

页数：4

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