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Royal Society of Chemistry, Chemical Communications, 78(49), p. 8767, 2013

DOI: 10.1039/c3cc44505d

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Aromaticity as the driving force for the stability of non-IPR endohedral metallofullerene Bingel–Hirsch adducts

Journal article published in 2013 by Marc Garcia-Borràs ORCID, Sílvia Osuna, Marcel Swart ORCID, Josep M. Luis ORCID, Luis Echegoyen, Miquel Solà ORCID
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This paper is available in a repository.

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Abstract

We have studied the relative stabilities of Bingel-Hirsch non-IPR endohedral metallofullerene monoadducts having one, two, or three adjacent pentagon pairs. The most stable addition always leads to an open adduct and never occurs on [5,5] bonds. Our results show that the thermodynamics of the addition is governed by the additive local aromaticity of the rings of the final adducts.