[Au(diethylbenzimidazol-2-ylidene)2]PF6 | 202663-92-1

• 英文名称: [Au(diethylbenzimidazol-2-ylidene)2]PF6
• 英文别名: [Au(Et2-benzimidazol-2-ylidene)2]PF6；[Au(1,3-diethylbenzimidazol-2-ylidene)2][PF6]
• CAS: 202663-92-1
• 化学式: C₂₂H₂₈AuN₄*F₆P
• 分子量: 690.422
• InChiKey: HSKWPANBUWTWTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  [Au(diethylbenzimidazol-2-ylidene)2]PF6 、 {Et4N}{Au(bis(1,2-dicyano-1,2-ethylenedithiolato))} 以 丙酮 为溶剂， 以75%的产率得到[Au(1,3-diethylbenzimidazol-2-ylidene)2][Au(maleonitriledithiolate)2]
  参考文献：
  名称：

  Gold(I) N-Heterocyclic Carbene and Carbazolate Complexes

  摘要：

  Gold(I) carbene complexes of the type [Au(NHC)Cl], where NHC represents N-heterocyclic carbenes, have been synthesized. Two crystal structures of this type show that the molecules are stacked to form a linear polymer with Au...Au interactions. Luminous [Au(NHC)(cbz)) (cbz = carbazolate) were synthesized from [Au(NHC)Cl]. The crystal structure of one of this series indicates that the carbene and cbz rings are coplanar and two molecules are arranged pairwise in a head-to-tail fashion. While all the compounds prepared exhibit high-energy emission bands at similar to400 mn, [Au(NHC)Cl] complexes display additional low-energy emission bands at 580-650 nm, which are attributed to Au-centered transitions involving Au...Au interactions. On the other hand, the low-energy emission bands of the [Au(NHC)(cbz)] complexes, which appear at 584-592 nm with fine structures, are likely to arise from the transitions involving mainly carbazolate tuned by Au, as also suggested by the density functional calculations. Crystal structures of Au(I)-dicarbenes are also reported.

  DOI：

  10.1021/om049221u
• 作为产物：
  描述：

  (N,N'-diethylbenzimidazolin-2-ylidene)gold(I) chloride 、 1,3-diethyl-benzimidazolium hexafluorophosphate 在 K₂CO₃ 作用下， 以 丙酮 为溶剂， 以89%的产率得到[Au(diethylbenzimidazol-2-ylidene)2]PF6
  参考文献：
  名称：

  Synthesis, Structure, and Spectroscopic Properties of Gold(I)−Carbene Complexes

  摘要：

  A series of gold(I)-carbene complexes of the type [Au(R-2-bimy)L] (R = Et, Me; bimy = benzimidazol-2-ylidene; L = Cl, Br, I, bimy, thiophenolate, phenylacetylide) have been prepared. These carbene complexes are luminous in acetonitrile solution and in the solid state with long lifetimes at room temperature. Multiple emissions have been observed for different R and L. The crystal structure of [Au(Me-2-bimy)Cl] shows a relatively short intermolecular Au-I-Au-I contact of 3.1664(10) Angstrom and an intermolecular ring pi-pi interaction with a ring-ring distance of 3.45 Angstrom. The structure of [Au(Et-2-bimy)Cl], however, shows only intermolecular ring-ring interactions with a distance of 3.53 Angstrom. Crystal structure data suggest that bimy is a high-trans-influence ligand.

  DOI：

  10.1021/om980718b

文献信息

• Facile Synthesis of Silver(I)−Carbene Complexes. Useful Carbene Transfer Agents
  作者：Harrison M. J. Wang、Ivan J. B. Lin

  DOI：10.1021/om9709704

  日期：1998.3.1

  [Ag(Et-2-Bimy)(2)][AgBr2] (1; Et-2-Bimy = diethylbenzimidazol-2-ylidene) was obtained readily from the reaction of [Et-2-BimyH]Br with Ag2O. Compound 2, (Ag(Et-2-Bimy)(2)]PF6, was prepared by the reaction of [Et-2-Bimy]PF6 with Ag2O under basic phase transfer catalysis conditions. Both compounds 1 and 2 are good carbene transfer agents. Thus, Pd(Et-2-Bimy)(2)Cl-2, Au(Et-2-Bimy)Br, and [Au(Et-2-Bimy)(2)]PF6 were obtained in high yields using 1 and 2 as carbene sources. The byproduct AgBr or AgCl can be reused to generate 1 under basic phase transfer catalysis conditions. The crystal structure of compound 1 revealed that linear [Ag(Et-2-Bimy)(2)](+) and [AgBr2](-) groups were associated through a short Ag-I-Ag-I contact (2.956 Angstrom). FAB/mass spectrometry and molar conductivity measurements indicate the existence of ligand-unsupported Ag-I-Ag-I interactions in the gas phase and acetonitrile solution. C-13 NMR studies suggest that the two Bimy ligands in 1 are fluxional in solution.