期刊
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
卷 -, 期 13, 页码 1950-1959出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/ejic.200801186
关键词
Carbenes; Gold; Pyridine; Homogeneous catalysis; Luminescence; Oxidation
资金
- National Science Council (Taiwan, ROC) [NSC 97-2113-M-259-009-MY3]
- National Center for High-Performance Computing of Taiwan
Overall ten ionic [Au(NHC)(Py)][PF6](-) and [Au-2(NHC)(2)(Py)(2)]-[PF6](2)-type complexes [NHC = N,N'-dialkylbenzimidazol-2-ylidene, denoted as R-2-bimy with alkyl (R) being methyl (Me) or ethyl (Et), and Py = 4-substituted pyridine or 4,4'-bipyridine] have been prepared by incorporating various Pys into the Au-I-NHC core with Au(NHC)Cl as starting material. Their crystal structures characterized by X-ray diffraction indicate a linearly coordinated Au-I center and exhibit secondary forces such as Au center dot center dot center dot Au, Au center dot center dot center dot pi, or pi center dot center dot center dot pi interactions. The luminescent properties of these compounds were studied in the solid state. Density-functional theory calculations on [Au(Me-2-bimy)(4-dmapy)][PF6] [4-dmapy = 4-(dimethylamino)pyridine] predict the lowest electronic transition with nonzero oscillator strength is the fourth HOMO-LUMO transition. Whereas the fourth HOMO is mainly associated with the Py ligands, the LUMO is predominantly aurophilic. Four Au-I-NHC compounds were examined for their catalytic activity towards the oxidation of benzyl alcohol to aldehyde, in which the starting material [Au(Et-2-bimy)Cl] gave the highest yield. ((C) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
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