Aromaticity and diatropicity of polyacenequinododimethides

Chemistry, an Asian Journal
Jun-ichi Aihara, Masakazu Makino

Abstract

Typical polyacenequinododimethides exist only in a single classical structure. These hydrocarbons are moderately aromatic and diatropic, although they have no aromatic conjugated circuits. This apparent dichotomy was resolved with our graph theory of aromaticity and magnetotropicity. Many nonconjugated circuits were found to contribute collectively to aromaticity and diatropicity. For individual molecules, local aromaticity increases with distance from the exo-methylene groups. This fact indicates that the conjugated-circuit model is not always applicable to semibenzenoid hydrocarbons such as polyacenequinododimethides.

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Apr 9, 2005·Organic Letters·Chaitanya S WannerePaul von Ragué Schleyer
Jul 29, 2005·Organic Letters·F FaglioniP Lazzeretti
Mar 2, 2006·Journal of the American Chemical Society·Jun-ichi Aihara
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Jul 15, 2006·The Journal of Physical Chemistry. a·Jun-ichi Aihara, Hideaki Kanno
Sep 5, 2006·Chemistry : a European Journal·Patrick BultinckRobert Ponec
Aug 21, 2007·The Journal of Physical Chemistry. a·Jun-Ichi AiharaToshimasa Ishida

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Citations

Feb 16, 2016·Physical Chemistry Chemical Physics : PCCP·Jun-Ichi Aihara
Jul 14, 2011·The Journal of Physical Chemistry. a·Jun-ichi AiharaToshimasa Ishida
Oct 14, 2014·The Journal of Physical Chemistry. a·Jerry Ray Dias
Sep 14, 2013·The Journal of Physical Chemistry. a·Jun-ichi AiharaKenkichi Sakamoto

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