Blue-emitting dinuclear N-heterocyclic dicarbene gold(I) complex featuring a nearly unit quantum yield

Handle URI:
http://hdl.handle.net/10754/562086
Title:
Blue-emitting dinuclear N-heterocyclic dicarbene gold(I) complex featuring a nearly unit quantum yield
Authors:
Baron, Marco; Tubaro, Cristina; Biffis, Andrea; Basato, Marino; Graiff, Claudia; Poater, Albert; Cavallo, Luigi ( 0000-0002-1398-338X ) ; Armaroli, Nicola; Accorsi, Gianluca
Abstract:
Dinuclear N-heterocyclic dicarbene gold(I) complexes of general formula [Au 2(RIm-Y-ImR) 2](PF 6) 2 (R = Me, Cy; Y = (CH 2) 1-4, o-xylylene, m-xylylene) have been synthesized and screened for their luminescence properties. All the complexes are weakly emissive in solution whereas in the solid state some of them show significant luminescence intensities. In particular, crystals or powders of the complex with R = Me, Y = (CH 2) 3 exhibit an intense blue emission (λ max = 450 nm) with a high quantum yield (Φ em = 0.96). The X-ray crystal structure of this complex is characterized by a rather short intramolecular Au•••Au distance (3.272 Ǻ). Time dependent density functional theory (TDDFT) calculations have been used to calculate the UV/vis properties of the ground state as well as of the first excited state of the complex, the latter featuring a significantly shorter Au•••Au distance. © 2012 American Chemical Society.
KAUST Department:
KAUST Catalysis Center (KCC); Physical Sciences and Engineering (PSE) Division; Chemical Science Program
Publisher:
American Chemical Society (ACS)
Journal:
Inorganic Chemistry
Issue Date:
6-Feb-2012
DOI:
10.1021/ic2020786
PubMed ID:
22268766
Type:
Article
ISSN:
00201669
Sponsors:
C.T. thanks the University of Padova for financial support (CPDA085452 and HELIOS). This work was also supported by EC (ITN "FINELUMEN" PITN-GA-2008-215399) and the CNR (PM.P04.010, MACOL). Dr. Valerio Causin is gratefully acknowledged for the powder XRD measurements.
Is Supplemented By:
Baron, M., Tubaro, C., Biffis, A., Basato, M., Graiff, C., Poater, A., … Accorsi, G. (2012). CCDC 835523: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccx1fcq; DOI:10.5517/ccx1fcq; HANDLE:http://hdl.handle.net/10754/624653; Baron, M., Tubaro, C., Biffis, A., Basato, M., Graiff, C., Poater, A., … Accorsi, G. (2012). CCDC 855138: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccxpv3j; DOI:10.5517/ccxpv3j; HANDLE:http://hdl.handle.net/10754/624667
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Chemical Science Program; KAUST Catalysis Center (KCC)

Full metadata record

DC FieldValue Language
dc.contributor.authorBaron, Marcoen
dc.contributor.authorTubaro, Cristinaen
dc.contributor.authorBiffis, Andreaen
dc.contributor.authorBasato, Marinoen
dc.contributor.authorGraiff, Claudiaen
dc.contributor.authorPoater, Alberten
dc.contributor.authorCavallo, Luigien
dc.contributor.authorArmaroli, Nicolaen
dc.contributor.authorAccorsi, Gianlucaen
dc.date.accessioned2015-08-03T09:44:28Zen
dc.date.available2015-08-03T09:44:28Zen
dc.date.issued2012-02-06en
dc.identifier.issn00201669en
dc.identifier.pmid22268766en
dc.identifier.doi10.1021/ic2020786en
dc.identifier.urihttp://hdl.handle.net/10754/562086en
dc.description.abstractDinuclear N-heterocyclic dicarbene gold(I) complexes of general formula [Au 2(RIm-Y-ImR) 2](PF 6) 2 (R = Me, Cy; Y = (CH 2) 1-4, o-xylylene, m-xylylene) have been synthesized and screened for their luminescence properties. All the complexes are weakly emissive in solution whereas in the solid state some of them show significant luminescence intensities. In particular, crystals or powders of the complex with R = Me, Y = (CH 2) 3 exhibit an intense blue emission (λ max = 450 nm) with a high quantum yield (Φ em = 0.96). The X-ray crystal structure of this complex is characterized by a rather short intramolecular Au•••Au distance (3.272 Ǻ). Time dependent density functional theory (TDDFT) calculations have been used to calculate the UV/vis properties of the ground state as well as of the first excited state of the complex, the latter featuring a significantly shorter Au•••Au distance. © 2012 American Chemical Society.en
dc.description.sponsorshipC.T. thanks the University of Padova for financial support (CPDA085452 and HELIOS). This work was also supported by EC (ITN "FINELUMEN" PITN-GA-2008-215399) and the CNR (PM.P04.010, MACOL). Dr. Valerio Causin is gratefully acknowledged for the powder XRD measurements.en
dc.publisherAmerican Chemical Society (ACS)en
dc.titleBlue-emitting dinuclear N-heterocyclic dicarbene gold(I) complex featuring a nearly unit quantum yielden
dc.typeArticleen
dc.contributor.departmentKAUST Catalysis Center (KCC)en
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentChemical Science Programen
dc.identifier.journalInorganic Chemistryen
dc.contributor.institutionDipartimento di Scienze Chimiche, Università di Padova, via Marzolo 1, 35131 Padova, Italyen
dc.contributor.institutionDipartimento di Chimica Generale e Inorganica, Chimica Analitica, Università di Parma, Viale delle Scienze 17/A, 43100 Parma, Italyen
dc.contributor.institutionCatalan Institute for Water Research (ICRA), H2O Building, University of Girona, Emili Grahit 101, Girona E-17003, Spainen
dc.contributor.institutionMolecular Photoscience Group, Istituto per la Sintesi Organica e la Fotoreattività, Consiglio Nazionale Delle Ricerche (CNR-ISOF), Via Gobetti 101, 40129 Bologna, Italyen
kaust.authorCavallo, Luigien
dc.relation.isSupplementedByBaron, M., Tubaro, C., Biffis, A., Basato, M., Graiff, C., Poater, A., … Accorsi, G. (2012). CCDC 835523: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccx1fcqen
dc.relation.isSupplementedByDOI:10.5517/ccx1fcqen
dc.relation.isSupplementedByHANDLE:http://hdl.handle.net/10754/624653en
dc.relation.isSupplementedByBaron, M., Tubaro, C., Biffis, A., Basato, M., Graiff, C., Poater, A., … Accorsi, G. (2012). CCDC 855138: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccxpv3jen
dc.relation.isSupplementedByDOI:10.5517/ccxpv3jen
dc.relation.isSupplementedByHANDLE:http://hdl.handle.net/10754/624667en

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