Calculations of bond angles in five-membered conjugated ring systems

被引：5

作者：

O'Sullivan, Patricia S. ^{[1
]}

De La Vega, Jose ^{[2
]}

Hameka, Heindrik F. ^{[3
]}

机构：

[1] Rosemont Coll, Dept Chem, Rosemont, PA 19010 USA

[2] Villanova Univ, Dept Chem, Villanova, PA 19085 USA

[3] Univ Penn, Dept Chem, Philadelphia, PA 19104 USA

来源：

CHEMICAL PHYSICS LETTERS | 1970年 / 5卷 / 09期

关键词：

D O I：

10.1016/0009-2614(70)85051-5

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We have calculated the bond angles in furan. pyrrole. imidazole and oxazole by minimizing the molecular energies with respect to the angles. The excellent agreement between theory and experiment confirms our assumption that bond distortion does not occur in these molecules.

引用

页码：576 / 578

页数：3

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