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

Marco Baron, Cristina Tubaro, Andrea Biffis, Marino Basato, Claudia Graiff, Albert Poater, Luigi Cavallo, Nicola Armaroli, Gianluca Accorsi

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95 Scopus citations


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.
Original languageEnglish (US)
Pages (from-to)1778-1784
Number of pages7
JournalInorganic Chemistry
Issue number3
StatePublished - Jan 23 2012

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: 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.

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry


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