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Issue 44, 2008
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Polycyclic antiaromatic hydrocarbons

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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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Publication details

The article was received on 12 May 2008, accepted on 07 Aug 2008 and first published on 25 Sep 2008


Article type: Paper
DOI: 10.1039/B808082H
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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