Graphical linking of MO multicenter bond index and VB structures. II-5-c rings and 6-c heterocyclic rings

被引：24

作者：

Bollini, CG

Giambiagi, M

de Giambiagi, MS

de Figueiredo, AP

机构：

[1] Ctr Brasileiro Pesquisas Fis, BR-22290180 Rio De Janeiro, Brazil

[2] Univ La Plata, Fac Ciencias Exactas, Dept Fis, La Plata, Argentina

[3] Comis Invest Pcia, La Plata, Argentina

来源：

STRUCTURAL CHEMISTRY | 2001年 / 12卷 / 02期

关键词：

MO multicenter bond index; VB structures; 5-c rings; 6-c heterocyclic rings;

D O I：

10.1023/A:1016692425299

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Through the graphical method proposed, it is possible to create a link between an MO multicenter bond index and VB structures. The value of the index depends on the order of the atoms involved, if there are more than three. For 5-c rings, three basic structures are required; the eventually different values are 12. Unlike the 6-c case, it may happen that different pairs of basic structures are used to build the same polygon. For the 6-c rings, including heteroatoms, the original degeneracy of benzene splits, leading eventually to 60 different I-ring values.

引用

页码：113 / 120

页数：8

共 22 条

[1] Graphical linking of a MO multicenter bond index to VB structures [J].