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Photophysical properties of Kuratowski-type coordination compounds [MIIZn4Cl4(Me2bta)6] (MII=Zn or Ru) featuring long-lived excited electronic states

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Photophysical properties of Kuratowski-type coordination compounds [MIIZn4Cl4(Me2bta)6] (MII=Zn or Ru) featuring long-lived excited electronic states

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dc.contributor.author Liu, Ying-Ya es_ES
dc.contributor.author Grzywa, Maciej es_ES
dc.contributor.author Tonigold, Markus es_ES
dc.contributor.author Sastre Navarro, German Ignacio es_ES
dc.contributor.author Schuettrigkeit, Tanja es_ES
dc.contributor.author Leeson, Nicholas S. es_ES
dc.contributor.author Volkmer, Dirk es_ES
dc.date.accessioned 2016-09-20T11:18:16Z
dc.date.available 2016-09-20T11:18:16Z
dc.date.issued 2011
dc.identifier.issn 1477-9226
dc.identifier.uri http://hdl.handle.net/10251/70151
dc.description.abstract The syntheses of Kuratowski-type pentanuclear clusters featuring {MZn4Cl4} cores (M-II = Ru or Zn) that incorporate triazolate ligands are described. The coordination compounds are characterized by single-crystal X-ray diffraction, X-ray powder diffraction (XRD), FTIR-and UV-vis spectroscopy. [(RuZn4Cl4)-Zn-II(Me(2)bta)(6)]center dot 2DMF (Me(2)bta(-) = 5,6-dimethyl-1,2,3-benzotriazolate) (1) crystallizes in the cubic system, while [Zn5Cl4(ta)(6)] (ta(-) = 1,2,3-triazolate) (3) crystallizes in the tetragonal system. Both compounds feature structurally similar cluster topologies in which the central octahedrally coordinated metal ion is coordinated to six triazolate ligands. Each triazolate ligand is coordinated with two zinc ions (mu(3)-bridging mode), leading altogether to a pentanuclear cluster of T-d point group symmetry. Photophysical investigations reveal that compound [Zn5Cl4(Me(2)bta)(6)]center dot 2DMF (2) shows a short-lived excited electronic state, which can be populated with high quantum yield. The isostructural compound [(RuZn4Cl4)-Zn-II(Me(2)bta)(6)]center dot 2DMF (1), on the other hand, shows a long-lived photoexcited state, owing to an internal singlet to triplet conversion of the electronic states, as revealed by time-resolved fluorescence spectroscopy. Insights gained from these studies open up novel design strategies towards photocatalytically active metal-organic frameworks incorporating photoactive Kuratowski-type secondary building units such as MFU-4 (Metal-Organic Framework Ulm University-4). es_ES
dc.description.sponsorship Financial support from the German Research Foundation (DFG Priority Program 1362 "Porous Metal-Organic Frameworks", VO 829/5-1) is gratefully acknowledged. M.T. is grateful to the Landesgraduiertenforderung Baden-Wurttemberg for financial support. GS thanks Ministerio de Ciencia e Innovacion of Spain for funding through project MAT2007-64682. BSC (Barcelona Supercomputing Centre) is thanked for providing computer resources. Helpful discussions with Dr Virginie Lhiaubet are gratefully acknowledged. en_EN
dc.language Inglés es_ES
dc.publisher Royal Society of Chemistry es_ES
dc.relation.ispartof Dalton Transactions es_ES
dc.rights Reserva de todos los derechos es_ES
dc.subject ZETA-VALENCE QUALITY es_ES
dc.subject GENERALIZED GRADIENT APPROXIMATION es_ES
dc.subject GAUSSIAN-BASIS SETS es_ES
dc.subject RUTHENIUM(II) COMPLEXES es_ES
dc.subject CORRELATION-ENERGY es_ES
dc.subject ADJUSTABLE-PARAMETERS es_ES
dc.subject TRINUCLEAR COMPLEXES es_ES
dc.subject CRYSTAL-STRUCTURE es_ES
dc.subject REDOX PROPERTIES es_ES
dc.subject D-ORBITALS es_ES
dc.title Photophysical properties of Kuratowski-type coordination compounds [MIIZn4Cl4(Me2bta)6] (MII=Zn or Ru) featuring long-lived excited electronic states es_ES
dc.type Artículo es_ES
dc.identifier.doi 10.1039/c0dt01750g
dc.relation.projectID info:eu-repo/grantAgreement/DFG//VO 829%2F5-1/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MEC//MAT2007-64682/ES/ADSORCION Y CATALISIS EN SOLIDOS POROSOS METAL-ORGANICOS POR METODOS QUIMICO-COMPUTACIONALES/ es_ES
dc.rights.accessRights Cerrado es_ES
dc.contributor.affiliation Universitat Politècnica de València. Instituto Universitario Mixto de Tecnología Química - Institut Universitari Mixt de Tecnologia Química es_ES
dc.description.bibliographicCitation Liu, Y.; Grzywa, M.; Tonigold, M.; Sastre Navarro, GI.; Schuettrigkeit, T.; Leeson, NS.; Volkmer, D. (2011). Photophysical properties of Kuratowski-type coordination compounds [MIIZn4Cl4(Me2bta)6] (MII=Zn or Ru) featuring long-lived excited electronic states. Dalton Transactions. 40(22):5926-5938. https://doi.org/10.1039/c0dt01750g es_ES
dc.description.accrualMethod S es_ES
dc.relation.publisherversion http://dx.doi.org/10.1039/c0dt01750g es_ES
dc.description.upvformatpinicio 5926 es_ES
dc.description.upvformatpfin 5938 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 40 es_ES
dc.description.issue 22 es_ES
dc.relation.senia 217081 es_ES
dc.contributor.funder Ministerio de Educación y Ciencia es_ES
dc.contributor.funder Deutsche Forschungsgemeinschaft es_ES
dc.contributor.funder Baden-Württemberg Landesregierung es_ES
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