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

Citation
Cg. Bollini et al., Graphical linking of MO multicenter bond index and VB structures. II-5-c rings and 6-c heterocyclic rings, STRUCT CHEM, 12(2), 2001, pp. 113-120
Citations number
22
Categorie Soggetti
Chemistry
Journal title
STRUCTURAL CHEMISTRY
ISSN journal
10400400 → ACNP
Volume
12
Issue
2
Year of publication
2001
Pages
113 - 120
Database
ISI
SICI code
1040-0400(200104)12:2<113:GLOMMB>2.0.ZU;2-N
Abstract
Through the graphical method proposed, it is possible to create a link betw een 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. F or 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, inc luding heteroatoms, the original degeneracy of benzene splits, leading even tually to 60 different I-ring values.