title: Blue-emitting dinuclear N-heterocyclic dicarbene gold(I) complex featuring a nearly unit quantum yield.
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.
authors.affiliation: Dipartimento di Scienze Chimiche, Università di Padova, via Marzolo 1, 35131 Padova, Italy.
authors.forename: Marco
authors.initials: M
authors.lastname: Baron
authors.forename: Cristina
authors.initials: C
authors.lastname: Tubaro
authors.forename: Andrea
authors.initials: A
authors.lastname: Biffis
authors.forename: Marino
authors.initials: M
authors.lastname: Basato
authors.forename: Claudia
authors.initials: C
authors.lastname: Graiff
authors.forename: Albert
authors.initials: A
authors.lastname: Poater
authors.forename: Luigi
authors.initials: L
authors.lastname: Cavallo
authors.forename: Nicola
authors.initials: N
authors.lastname: Armaroli
authors.forename: Gianluca
authors.initials: G
authors.lastname: Accorsi
mesh_terms: D018360:Crystallography, X-Ray; D006046:Gold / Q000737:chemistry*; D006571:Heterocyclic Compounds / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D011789:Quantum Theory
chemical_list: D006571:Heterocyclic Compounds; D006046:Gold