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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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Article information


Submitted
14 Jun 2011
Accepted
26 Aug 2011
First published
15 Sep 2011

Phys. Chem. Chem. Phys., 2011,13, 20637-20643
Article type
Paper

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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