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Issue 42, 2011
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Open-shell spherical aromaticity: the 2N2 + 2N + 1 (with S = N + ½) rule

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Abstract

4N Baird's rule represented the extension of Hückel's 4N + 2 rule to triplet state systems. In this work we extend the 2(N + 1)2 Hirsch rule for spherical aromatic species to open-shell spherical compounds and we provide evidence that those spherical species having a same-spin half-filled last energy level with the rest of the levels being fully-filled, i.e., those having 2N2 + 2N + 1 electrons and S = N + ½, are aromatic.

Graphical abstract: Open-shell spherical aromaticity: the 2N2 + 2N + 1 (with S = N + ½) rule

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Publication details

The article was received on 10 Aug 2011, accepted on 19 Sep 2011 and first published on 27 Sep 2011


Article type: Communication
DOI: 10.1039/C1CC14958J
Chem. Commun., 2011,47, 11647-11649

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    Open-shell spherical aromaticity: the 2N2 + 2N + 1 (with S = N + ½) rule

    J. Poater and M. Solà, Chem. Commun., 2011, 47, 11647
    DOI: 10.1039/C1CC14958J

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