Structural Approach to Aromaticity and Local Aromaticity in Conjugated Polycyclic Systems

  • Alexandru T. Balaban
  • Milan Randić
Part of the Carbon Materials: Chemistry and Physics book series (CMCP, volume 5)


After an introductory brief discussion of the important and much debated concept of aromaticity, we elaborate on a recently proposed scheme for the partition of π-electrons of Kekuléan polycyclic conjugated hydrocarbons to individual rings, so that by summing π-electrons within individual rings of polycyclic conjugated hydrocarbons one obtains the total number of π-electrons in a molecule. We discuss separately for various types of hydrocarbons the π-Electron Content of individual rings, to be denoted as EC. In particular we summarize the EC results that we published in a series of papers which included: benzenoid catafusenes, benzenoid coronafusenes, benzenoid perifusenes, alternant and nonalternant conjugated hydrocarbons. Finally we return to Clar structures of benzenoid hydrocarbons as well as Clar structures of a selection of non-benzenoid alternant hydrocarbons like biphenylene, and point to a significant difference in distribution of π-electrons when instead of using all Kekulé valence structures one focuses on the subset of Kekulé valence structures indicated by Clar’s model.


Central Ring Dualist Graph Ring Size Individual Ring Benzenoid Ring 
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© Springer Science+Business Media B.V. 2011

Authors and Affiliations

  1. 1.Texas A&M University at Galveston, MARSGalvestonUSA
  2. 2.National Institute of ChemistryLjubljanaSlovenia

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