Issue 44, 2008
From the journal:

Physical Chemistry Chemical Physics

Polycyclic antiaromatic hydrocarbons†

Jonas Jusélius*a  and  Dage Sundholm*b  

* Corresponding authors

a Department of Chemistry, University of Tromsø, Tromsø, Norway
E-mail: jonas.juselius@chem.uit.no

b Department of Chemistry, P.O. Box 55 (A.I. Virtasen Aukio 1), FIN-00014 University of Helsinki, Finland
E-mail: sundholm@chem.helsinki.fi

Abstract

Magnetically induced current densities have been calculated for a series of hydrocarbons consisting of hexadehydro[12]annulene rings alternatingly fused with benzenes. The calculations show that all molecular rings of the studied molecules sustain paramagnetic ring currents. The new class of molecules is therefore coined polycyclic antiaromatic hydrocarbons (PAAH).

Graphical abstract: Polycyclic antiaromatic hydrocarbons

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Article information

DOI
https://doi.org/10.1039/B808082H
Article type
Paper
Submitted
12 May 2008
Accepted
07 Aug 2008
First published
25 Sep 2008

Phys. Chem. Chem. Phys., 2008,10, 6630-6634

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Polycyclic antiaromatic hydrocarbons

J. Jusélius and D. Sundholm, Phys. Chem. Chem. Phys., 2008, 10, 6630 DOI: 10.1039/B808082H

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