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

doi:10.1021/ic2020786

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

Research output: Contribution to journal › Article › peer-review

96 Scopus citations

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.

Original language	English (US)
Pages (from-to)	1778-1784
Number of pages	7
Journal	Inorganic Chemistry
Volume	51
Issue number	3
DOIs	https://doi.org/10.1021/ic2020786
State	Published - Jan 23 2012

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry

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10.1021/ic2020786

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@article{e246d0834fae4ec1b305a927a8db07a3,

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. {\textcopyright} 2012 American Chemical Society.",

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

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.",

year = "2012",

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doi = "10.1021/ic2020786",

language = "English (US)",

volume = "51",

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TY - JOUR

T1 - Blue-emitting dinuclear N-heterocyclic dicarbene gold(I) complex featuring a nearly unit quantum yield

AU - Baron, Marco

AU - Tubaro, Cristina

AU - Biffis, Andrea

AU - Basato, Marino

AU - Graiff, Claudia

AU - Poater, Albert

AU - Cavallo, Luigi

AU - Armaroli, Nicola

AU - Accorsi, Gianluca

N1 - 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.

PY - 2012/1/23

Y1 - 2012/1/23

N2 - 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.

AB - 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.

UR - http://hdl.handle.net/10754/562086

UR - https://pubs.acs.org/doi/10.1021/ic2020786

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EP - 1784

JO - Inorganic Chemistry

JF - Inorganic Chemistry

IS - 3

ER -

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

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CCDC 835523: Experimental Crystal Structure Determination : bis(mu~2~-1,1'-propane-1,3-diylbis(3-methyl-2,3-dihydro-1H-imidazol-2-ylidene))-di-gold (ii) bis(hexafluorophosphate)

CCDC 855138: Experimental Crystal Structure Determination : bis(mu~2~-1,1'-propane-1,3-diylbis(3-methyl-2,3-dihydro-1H-imidazol-2-ylidene))-di-gold (ii) bis(hexafluorophosphate)

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

Abstract

ASJC Scopus subject areas

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CCDC 835523: Experimental Crystal Structure Determination : bis(mu~2~-1,1'-propane-1,3-diylbis(3-methyl-2,3-dihydro-1H-imidazol-2-ylidene))-di-gold (ii) bis(hexafluorophosphate)

CCDC 855138: Experimental Crystal Structure Determination : bis(mu~2~-1,1'-propane-1,3-diylbis(3-methyl-2,3-dihydro-1H-imidazol-2-ylidene))-di-gold (ii) bis(hexafluorophosphate)

Cite this