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Issue 46, 2011
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Visualising aromaticity of bowl-shaped molecules

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Abstract

Superposition of slices (planar maps of induced current density calculated within the ipsocentric pseudo-π model of electronic response to a magnetic field) gives a simple route to visual diagnosis of ring-current aromaticity in bowl-shaped molecules. Results are presented for currents in the recently synthesized indenocorannulene precursors of [60]fullerene.

Graphical abstract: Visualising aromaticity of bowl-shaped molecules

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Publication details

The article was received on 14 Jun 2011, accepted on 26 Aug 2011 and first published on 15 Sep 2011


Article type: Paper
DOI: 10.1039/C1CP21931F
Citation: Phys. Chem. Chem. Phys., 2011,13, 20637-20643
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    Visualising aromaticity of bowl-shaped molecules

    P. W. Fowler and A. Soncini, Phys. Chem. Chem. Phys., 2011, 13, 20637
    DOI: 10.1039/C1CP21931F

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