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Original Articles

PARTITIONING OF π-ELECTRONS IN RINGS OF POLYCYCLIC conjugated HYDROCARBONS. PART 1: CATACONDENSED BENZENOIDS

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Pages 173-193 | Received 01 Dec 2003, Accepted 01 Jan 2004, Published online: 16 Aug 2010
 

Abstract

Recently a novel view on Kekulé valence structures (or resonance structures) was reported in which their standard geometrical representation was replaced by a numerical representation obtained by assigning π-electrons associated with CC double bonds to individual benzenoid rings. In the present article, we examine in more detail the partitioning of π-electrons to benzenoid rings for cata-condensed benzenoid hydrocarbons. For special families of cata-condensed benzenoids, we offer formulas which allow one to obtain the average π-electron ring content for individual benzenoid rings of polycyclic conjugated hydrocarbons. We also show that the average π-electron ring content for individual benzenoid rings can be calculated from Pauling bond orders without a need to examine all Kekulé resonance structures of a molecule.

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