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Maximum aromaticity as a guiding principle for the most suitable hosting cages in endohedral metallofullerenes

Aquest mateix article està publicat a l’edició alemanya d’’Angewandte Chemie’ (ISSN 0044-8249, EISSN 1521-3757), 2013, vol.125, núm. 35, p. 9445–9448. DOI http://dx.doi.org/10.1002/ange.201303636

Encapsulating! The encapsulation of metal clusters in endohedral metallofullerenes takes place in cages that, in most cases, are far from being the most stable isomer in the corresponding hollow fullerenes. In contrast to previous proposals, new results indicate that it is the maximum aromaticity criterion that determines the most suitable hosting cages

We are grateful for financial support from the Spanish MICINN (CTQ2011-23156/BQU and CTQ2011-25086/BQU), the Catalan DIUE (2009SGR637, 2009SGR528, and XRQTC), the FEDER fund (UNGI08-4E-003). M.G.-B. thanks the Spanish MECD for a PhD fellowship (AP2010-2517) and S.O. thanks the European Community for a postdoctoral fellowship (PIOF-GA-2009-252856). Excellent service by the CESCA and BSC-CNS is acknowledged. M. Sola thanks the Catalan DIUE for the ICREA Academia 2009 Award

Wiley-VCH Verlag

Director: Ministerio de Ciencia e Innovación (Espanya)
Generalitat de Catalunya. Agència de Gestió d’Ajuts Universitaris i de Recerca
Autor: Garcia Borràs, Marc
Osuna Oliveras, Sílvia
Swart, Marcel
Luis Luis, Josep Maria
Solà i Puig, Miquel
Data: 2013
Resum: Aquest mateix article està publicat a l’edició alemanya d’’Angewandte Chemie’ (ISSN 0044-8249, EISSN 1521-3757), 2013, vol.125, núm. 35, p. 9445–9448. DOI http://dx.doi.org/10.1002/ange.201303636
Encapsulating! The encapsulation of metal clusters in endohedral metallofullerenes takes place in cages that, in most cases, are far from being the most stable isomer in the corresponding hollow fullerenes. In contrast to previous proposals, new results indicate that it is the maximum aromaticity criterion that determines the most suitable hosting cages
We are grateful for financial support from the Spanish MICINN (CTQ2011-23156/BQU and CTQ2011-25086/BQU), the Catalan DIUE (2009SGR637, 2009SGR528, and XRQTC), the FEDER fund (UNGI08-4E-003). M.G.-B. thanks the Spanish MECD for a PhD fellowship (AP2010-2517) and S.O. thanks the European Community for a postdoctoral fellowship (PIOF-GA-2009-252856). Excellent service by the CESCA and BSC-CNS is acknowledged. M. Sola thanks the Catalan DIUE for the ICREA Academia 2009 Award
Format: application/pdf
Accés al document: http://hdl.handle.net/10256/10207
Llenguatge: eng
Editor: Wiley-VCH Verlag
Col·lecció: info:eu-repo/semantics/altIdentifier/doi/10.1002/anie.201303636
info:eu-repo/semantics/altIdentifier/issn/1433-7851
info:eu-repo/semantics/altIdentifier/eissn/1521-3773
info:eu-repo/grantAgreement/MICINN//CTQ2011-23156/ES/AVANCES EN CATALISIS Y AROMATICIDAD/
info:eu-repo/grantAgreement/MICINN//CTQ2011-25086/ES/MODELIZACION MULTIESCALAR EN (BIO)QUIMICA/
AGAUR/2009-2014/2009 SGR-637
AGAUR/2009-2014/2009 SGR-528
info:eu-repo/grantAgreement/EC/FP7/252856/EU/Enzyme Design of Medical Interest/MEDENZYMEDESIGN
Drets: Tots els drets reservats
Matèria: Fullerenes
Ful·lerens
Química -- Informàtica
Chemistry -- Data processing
Aromaticitat (Química)
Aromaticity (Chemistry)
Títol: Maximum aromaticity as a guiding principle for the most suitable hosting cages in endohedral metallofullerenes
Tipus: info:eu-repo/semantics/article
Repositori: DUGiDocs

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