Ítem
Ministerio de Ciencia e Innovación (Espanya)
Ministerio de Educación y Ciencia (Espanya) Generalitat de Catalunya. Agència de Gestió d’Ajuts Universitaris i de Recerca |
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Poater i Teixidor, Jordi
Solà i Puig, Miquel |
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2011 | |
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 +1/2 , are aromatic We thank the Spanish MICINN (CTQ2008-03077/BQU, CTQ2008-06532/BQU, CTQ2011-23156, Ramon y Cajal contract), the Catalan DIUE (2009SGR637, 2009SGR528, ICREA Academia 2009 prize), CESCA and BSC |
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application/pdf | |
http://hdl.handle.net/10256/11422 | |
eng | |
Royal Society of Chemistry (RSC) | |
info:eu-repo/semantics/altIdentifier/doi/10.1039/c1cc14958j info:eu-repo/semantics/altIdentifier/issn/1359-7345 info:eu-repo/semantics/altIdentifier/eissn/1364-548X info:eu-repo/grantAgreement/MICINN//CTQ2008-03077/ES/CLUSTERES METALICOS Y SEMIMETALICOS. ESTUDIOS DE AROMATICIDAD Y REACTIVIDAD/ info:eu-repo/grantAgreement/MICINN//CTQ2008-06532/ES/REACTIVIDAD Y ENLACE QUIMICO EN BIOMEDICINA Y QUIMICA (BIO)INORGANICA/ info:eu-repo/grantAgreement/MICINN//CTQ2011-23156/ES/AVANCES EN CATALISIS Y AROMATICIDAD/ AGAUR/2009-2014/2009 SGR-637 AGAUR/2009-2014/2009 SGR-528 |
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Tots els drets reservats | |
Aromaticitat (Química)
Aromaticity (Chemistry) |
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Open-shell spherical aromaticity: The 2N2 + 2N + 1 (with S = N + 1/2) rule | |
info:eu-repo/semantics/article | |
DUGiDocs |