Issue 46, 2011

Visualising aromaticity of bowl-shaped molecules

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

Article information

Article type
Paper
Submitted
14 Jun 2011
Accepted
26 Aug 2011
First published
15 Sep 2011

Phys. Chem. Chem. Phys., 2011,13, 20637-20643

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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