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Exploring Excited-State Tunability in Luminescent Tris-cyclometalated Platinum(IV) Complexes: Synthesis of Heteroleptic Derivatives and Computational Calculations

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dc.contributor.authorAullón, Gabriel
dc.contributor.authorBautista, Delia
dc.contributor.authorJuliá Hernández, Fabio
dc.contributor.authorGonzález Herrero, Pablo
dc.contributor.departmentQuímica Inorgánica
dc.date.accessioned2021-01-28T11:15:43Z
dc.date.available2021-01-28T11:15:43Z
dc.date.copyright© 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
dc.date.issued2014-10-29
dc.description.abstractThe synthesis, structure, electrochemistry, and photophysical properties of a series of heteroleptic tris-cyclometalated Pt(IV) complexes are reported. The complexes mer-[Pt(C^N)2(C'^N')]OTf, with C^N = C-deprotonated 2-(2,4-difluorophenyl)pyridine (dfppy) or 2-phenylpyridine (ppy), and C'^N' = C-deprotonated 2-(2-thienyl)pyridine (thpy) or 1-phenylisoquinoline (piq), were obtained by reacting bis-cyclometalated precursors [Pt(C^N)2Cl2] with 2 equiv of AgOTf and an excess of the N'^C'H pro-ligand. The complex mer-[Pt(dfppy)2(ppy)]OTf was obtained analogously and photoisomerized to its fac counterpart. The new complexes display long-lived luminescence at room temperature in the blue to orange color range. The emitting states involve electronic transitions almost exclusively localized on the ligand with the lowest π-π* energy gap and have very little metal character. DFT and TD-DFT calculations on mer-[Pt(ppy)2(C'^N')]+ (C'^N' = thpy, piq) and mer/fac-[Pt(ppy)3]+ support this assignment and provide a basis for the understanding of the luminescence of tris-cyclometalated Pt(IV) complexes. Excited states of LMCT character may become thermally accessible from the emitting state in the mer isomers containing dfppy or ppy as chromophoric ligands, leading to strong nonradiative deactivation. This effect does not operate in the fac isomers or the mer complexes containing thpy or piq, for which nonradiative deactivation originates mainly from vibrational coupling to the ground state.es
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dc.identifier.citationChemistry - A European Journal, 2014, 20, 17346-17359.
dc.identifier.doi https://doi.org/10.1002/chem.201404583
dc.identifier.issn0947-6539
dc.identifier.issn1521-3765
dc.identifier.urihttp://hdl.handle.net/10201/101945
dc.languageenges
dc.relationÁmbito del proyecto (Europeo, nacional o regional): Nacional Agencia/entidad financiadora: Ministerio de Economía y Competitividad Convocatoria: Ayudas para la realización de proyectos de investigación, subprograma de proyectos de investigación no orientada, 2011. Nombre del proyecto: Síntesis, reactividad y aplicaciones de complejos organometálicos y de coordinación funcionalizados Código: CTQ2011-24016es
dc.relation.publisherversionhttp://doi.wiley.com/10.1002/chem.201404583es
dc.rightsinfo:eu-repo/semantics/openAccesses
dc.rightsAtribución-NoComercial-SinDerivadas 3.0 España*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/es/*
dc.subject.otherCDU::5 - Ciencias puras y naturales::54 - Química::546 - Química inorgánicaes
dc.titleExploring Excited-State Tunability in Luminescent Tris-cyclometalated Platinum(IV) Complexes: Synthesis of Heteroleptic Derivatives and Computational Calculationses
dc.typeinfo:eu-repo/semantics/articlees
dc.type.versioninfo:eu-repo/semantics/acceptedVersion
dspace.entity.typePublicationes
relation.isAuthorOfPublication3cd84f76-a148-41f5-aff6-4aebf94bf201
relation.isAuthorOfPublication940323e4-526b-4ee9-b4f9-728b2b9a5da7
relation.isAuthorOfPublication.latestForDiscovery3cd84f76-a148-41f5-aff6-4aebf94bf201
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