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dc.contributor.authorArca, Massimiliano-
dc.contributor.authorAroz, M. Teresa-
dc.contributor.authorGimeno, M. Concepción-
dc.contributor.authorKulcsar, Monika-
dc.contributor.authorLaguna, Antonio-
dc.contributor.authorLasanta, Tania-
dc.contributor.authorLippolis, V.-
dc.contributor.authorLópez-de-Luzuriaga, José M.-
dc.contributor.authorMonge, Miguel-
dc.contributor.authorOlmos, M. Elena-
dc.date.accessioned2012-07-05T08:28:33Z-
dc.date.available2012-07-05T08:28:33Z-
dc.date.issued2011-
dc.identifierdoi: 10.1002/ejic.201100004-
dc.identifierissn: 1434-1948-
dc.identifiere-issn: 1099-0682-
dc.identifier.citationEuropean Journal of Inorganic Chemistry 14: 2288-2297 (2011)-
dc.identifier.urihttp://hdl.handle.net/10261/52825-
dc.description.abstractThe organodiselone ligands 1,1-bis(3-methyl-4-imidazolin-2-selone)methane (L1) and 1,2-bis(3-methyl-4-imidazolin-2-selone)ethane (L2) have been used for the synthesis of homopolynuclear TlI [{Tl(L)}PF6]n·(mMeCN)n [L = L1, m = 1 (1); L = L2, m = 0 (2)] and discrete heteropolynuclear [Tl{Au(C6Cl5)2}(L)] [L = L1 (3), L2 (4)] complexes. The crystal structures of complexes 1 and 3 have been determined through X-ray diffraction studies. Complex 1 consists of alternating thallium(I) centres and bidentate Se-donor ligands that result in polymeric chains. The crystal structure of 3 is formed by [Tl(L1)]+ cations and [Au(C6Cl5)2]– anions joined together by an unsupported Au···Tl interaction. Compounds 3 and 4 are luminescent in the solid state at room temperature and at 77 K with lifetimes in the nanosecond range. DFT and time-dependent (TD)-DFT calculations have been carried out on different model systems including the free ligand L1, a representative model of complex 1 and a model system of complex 3. The character of the frontier molecular orbitals and the TD-DFT prediction of the absorption spectra are used to explain the origin of the luminescence of complexes 3 and 4 as an admixture of metal–metal (Au–Tl)-to-ligand charge transfer (MMLCT) and intraligand (IL) transitions as observed experimentally.-
dc.description.sponsorshipThis work was supported by the Ministerio de Educación y Ciencia (MEC), Dirección General de Investigación (DGI)/Fondos Europeos para el Desarrollo Regional (FEDER) (CTQ2010-20500- C02-01 and CTQ2010-20500-C02-02). T. L. thanks Ministerio de Ciencia e Innovación (MICINN) for a grant. M. A. and V. L. thank the Università degli Studi di Cagliari for financial support. -
dc.language.isoeng-
dc.publisherWiley-VCH-
dc.rightsclosedAccess-
dc.titleHomopolynuclear TlI and heteropolynuclear AuI-TlI complexes with organodiselone ligands: Activation of luminescence by intermetallic interactions-
dc.typeartículo-
dc.identifier.doi10.1002/ejic.201100004-
dc.date.updated2012-07-05T08:28:33Z-
dc.description.versionPeer Reviewed-
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