DUGiDocsOpen-shell spherical aromaticity: The 2N2 + 2N + 1 (with S = N + 1/2) rule
dc.contributor.author
dc.date.accessioned
2015-11-03T12:52:27Z
dc.date.available
2015-11-03T12:52:27Z
dc.date.issued
2011
dc.identifier.issn
1359-7345
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dc.description.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 +1/2 , are aromatic
dc.description.sponsorship
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
dc.format.mimetype
application/pdf
dc.language.iso
eng
dc.publisher
Royal Society of Chemistry (RSC)
dc.relation
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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Reproducció digital del document publicat a: http://dx.doi.org/10.1039/c1cc14958j
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© Chemical Communications, 2011, vol. 47, núm. 42, p. 11647-11649
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Articles publicats (D-Q)
dc.rights
Tots els drets reservats
dc.subject
dc.title
Open-shell spherical aromaticity: The 2N2 + 2N + 1 (with S = N + 1/2) rule
dc.type
info:eu-repo/semantics/article
dc.rights.accessRights
info:eu-repo/semantics/embargoedAccess
dc.embargo.terms
Cap
dc.date.embargoEndDate
info:eu-repo/date/embargoEnd/2026-01-01
dc.type.version
info:eu-repo/semantics/publishedVersion
dc.identifier.doi
dc.identifier.idgrec
015419
dc.contributor.funder
dc.relation.ProjectAcronym
dc.identifier.eissn
1364-548X