Constrained digold(I) diaryls: syntheses, crystal structures, and photophysics |
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Authors: | Partyka David V Teets Thomas S Zeller Matthias Updegraff James B Hunter Allen D Gray Thomas G |
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Institution: | Department of Chemistry, Case Western Reserve University, 10900 Euclid Avenue, Cleveland, Ohio 44106, USA. |
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Abstract: | A series of di(gold(I) aryls), L(AuR)(2) (L = DPEphos, DBFphos, or Xantphos; R = 1-naphthyl, 2-naphthyl, 9-phenanthryl, or 1-pyrenyl), have been prepared. The complexes were characterized by multinuclear NMR spectroscopy, static and time-dependent optical spectroscopy, mass spectrometry, microanalysis, and X-ray crystallography. In addition, DFT calculations on model dinuclear gold complexes have been used to examine the electronic structures. Photophysical properties of the dinuclear complexes have been compared to mononuclear analogues. Low-temperature excited-state lifetimes for both the mononuclear and dinuclear complexes in toluene indicate triplet-state emission. Time-resolved DFT calculations suggest that emission originates from aryl-ligand transitions, even if the LUMO resides elsewhere. |
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Keywords: | aurophilicity density functional calculations gold luminescence phosphane ligands |
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