Paper Info
Title
Partitioning of pi-electrons in rings for Clar structures of benzenoid hydrocarbons.
Abstract
Resonance structures of polycyclic aromatic hydrocarbons can be associated with numerical formulas by assigning pi-electrons of C=C double bonds to individual benzenoid rings. Each C=C double bond in a resonance structure assigns two pi-electrons to a ring in a fused-benzenoid system if it is not shared by adjacent rings and one pi-electron when it is common to two rings, obtaining thus a "local" characterization of rings in polycyclic conjugated hydrocarbons. In the present contribution we extend this approach to the aromatic pi-sextet model of Clar, which offers an alternative description of bonzenoid hydrocarbons. In this model local characteristics of individual benzenoid rings are based on partitioning of pi-electrons but only for those resonance structures (fewer in number) that contribute to Clar's formula of benzenoid hydrocarbons.
Year
DOI
Venue
2006
10.1021/ci050196s
JOURNAL OF CHEMICAL INFORMATION AND MODELING
DocType
Volume
Issue
Journal
46
1
ISSN
Citations 
PageRank 
1549-9596
2
0.46
References 
Authors
0
2
Name
Order
Citations
PageRank
Milan Randic1635203.52
Alexandru T. Balaban235591.78