Issue 16, 2000
From the journal:

Chemical Communications

Double aromaticity and anti-aromaticity in small carbon ringsElectronic supplementary information (ESI) available: computed 3D coordinates as PDB files. See http://www.rsc.org/suppdata/cc/b0/b002922j/

Sonsoles Martín-Santamaríaa  and  Henry S. Rzepa*a  

* Corresponding authors

a Department of Chemistry, Imperial College of Science, Technology and Medicine, London, UK
E-mail: h.rzepa@ic.ac.uk

Abstract

Calculated NICS indices for C10 and C14 indicate these species are doubly aromatic and that C12 is doubly anti-aromatic, with the π-aromaticity dominating the σ-contribution in systems such as triplet C10, C8N2, C10B2 or C122+ all of which have opposing aromatic/anti-aromatic character.

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Supplementary files

Article information

DOI
https://doi.org/10.1039/B002922J
Article type
Communication
Submitted
12 Apr 2000
Accepted
04 Jul 2000
First published
19 Jul 2000

Chem. Commun., 2000, 1503-1504

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Double aromaticity and anti-aromaticity in small carbon rings

S. Martín-Santamaría and H. S. Rzepa, Chem. Commun., 2000, 1503 DOI: 10.1039/B002922J

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