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

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 additi...

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Detalles Bibliográficos
Autores: Garcia Borràs, Marc, Osuna Oliveras, Sílvia, Swart, Marcel, Luis Luis, Josep Maria, Echegoyen, Luis A., Solà i Puig, Miquel
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2013
País:España
Institución:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
Repositorio:Recercat. Dipósit de la Recerca de Catalunya
OAI Identifier:oai:recercat.cat:10256/10201
Acceso en línea:http://hdl.handle.net/10256/10201
Access Level:acceso embargado
Palabra clave:Reaccions químiques
Chemical reactions
Fullerenes
Ful·lerens
Termodinàmica
Thermodynamic
Aromaticitat (Química)
Aromaticity (Chemistry)
Bingel-Hirsch, Reacció de
Bingel-Hirsch reaction
Descripción
Sumario: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

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