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Electron content of rings of fully benzenoid hydrocarbons
Author(s) -
Iván Gutman,
Boris Furtula,
Svetlana Jeremić,
Nedžad Turković
Publication year - 2005
Publication title -
journal of the serbian chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.227
H-Index - 45
eISSN - 1820-7421
pISSN - 0352-5139
DOI - 10.2298/jsc0510199g
Subject(s) - annulation , electron , aromaticity , chemistry , physics , organic chemistry , nuclear physics , molecule , catalysis
: The distribution of -electrons in rings of fully benzenoid hydrocarbonswas investigated. It was found that the electron content EC of “full” rings varies sig-nificantly (between 5.5 and 2.5 electrons), and depends on the annelation mode,mainly on the number of adjacent rings. “Full” rings belonging to the same annela-tion class have nearly equal EC -values. The EC -values of all “empty” rings are alsonearly equal (around 2 electrons). Keywords : fully benzenoid hydrocarbons, -electron content of ring, “full” rings,“empty” rings.INTRODUCTION The use of Kekule structural formulas in the analysis of the -electron struc-tureofbenzenoidhydrocarbonsdatesbacktothe1930s,andsincethenhasbecomeone of the standard methods of the theoretical chemistry of conjugated mole-cules. 1,2 It is therefore somewhat surprising that the idea of assessing the distribu-tion of -electrons into rings by means of Kelule structures was put forward onlyquite recently. 3,4 According to the proposed method,

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