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Title: On distribution of π-electrons in rhombus-shaped benzenoid hydrocarbons
Authors: Gutman, Ivan
Turkovic, Nedzad
Furtula, Boris
Issue Date: Jul-2006
Publisher: NISCAIR-CSIR, India
Abstract: The distribution of π-electrons into rings of rhombus-shaped benzenoid hydrocarbons is reported here. In this class of benzenoid systems, the (unique) Clar formula represents only a minute fraction of the total number of Kekule structures, and therefore a breakdown of the Clar model could be expected. It is found that the π-electron distribution follows a pattern different from what is predicted by the Clar model : the greatest π-electron content is in the two "full" peak hexagons (around 4.5 electrons). In the other boundary hexagons, the π-electrons are distributed almost uniformly (around 3 electrons per hexagon). In the internal hexagons, the π-electrons are also distributed in an almost uniform manner (around 2 electrons per hexagon), the π-electron content of the "full" hexagons insignificantly exceeding the π-electron contents of the "empty" hexagons.
Page(s): 1601-1604
ISSN: 0975-0975(Online); 0376-4710(Print)
Appears in Collections: IJC-A Vol.45A(07) [July 2006]

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