Issue 7, 2001

Visualisation of counter-rotating ring currents in kekulene

Abstract

Current-density maps for kekulene 1 computed using an ab initio all-electron distributed-origin method show global diamagnetic and paramagnetic circulations around outer and inner perimeters (‘rim’ and ‘hub’), subsuming six local benzenoid diamagnetic π circulations, in qualitative agreement with the Hückel–London π model, but in contradiction of an [18]-in-[30] concentric-annulene description of 1.

Article information

Article type
Communication
Submitted
05 Dec 2000
Accepted
26 Feb 2001
First published
19 Mar 2001

Chem. Commun., 2001, 659-660

Visualisation of counter-rotating ring currents in kekulene

E. Steiner, P. W. Fowler, L. W. Jenneskens and A. Acocella, Chem. Commun., 2001, 659 DOI: 10.1039/B009763M

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