[Au(CC-9-fluorenol)]10 | 1382600-50-1

• 英文名称: [Au(CC-9-fluorenol)]10
• CAS: 1382600-50-1
• 化学式: C₁₅₀H₉₀Au₁₀O₁₀
• 分子量: 4022.02
• InChiKey: UGTPGINAKLDYAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [Au2(PPh2C6H4PPh2)2](ClO4)2 、 [Au(CC-9-fluorenol)]10 以 二氯甲烷 、 丙酮 为溶剂， 以81%的产率得到[Au8(CC-9-fluorenol)6(PPh2C6H4PPh2)2](ClO4)2
  参考文献：
  名称：

  Intensely Luminescent Homoleptic Alkynyl Decanuclear Gold(I) Clusters and Their Cationic Octanuclear Phosphine Derivatives

  摘要：

  Treatment of Au(SC4H8)Cl with a stoichiometric amount of hydroxyaliphatic alkyne in the presence of NEt3 results in high-yield self-assembly of homoleptic clusters (AuC2R)(10) (R = 9-fluorenol (1), diphenylmethanol (2), 2,6-dimethyl-4-heptanol (3), 3-methyl-2-butanol (4), 4-methyl-2-pentanol (4), 1-cyclohexanol (6), 2-borneol (7)). The molecular compounds contain an unprecedented catenane metal core with two interlocked 5-membered rings. Reactions of the decanuclear clusters 1-7 with gold-diphosphine complex [Au-2(1,4-PPh2-C6H4-PPh2)(2)](2+) lead to octanuclear cationic derivatives [Au-8(C2R)(6)(PPh2-C6H4-PPh2)(2)](2+) (8-14), which consist of planar tetranuclear units {Au-4(C2R)(4)} coupled with two fragments [AuPPh2-C6H4-PPh2(AuC2R)](+). The titled complexes were characterized by NMR and ESI-MS spectroscopy, and the structures of I, 13, and 14 were determined by single-crystal X-ray diffraction analysis. The luminescence behavior of both Au-10(I) and Au-8(I) families has been studied, revealing efficient room-temperature phosphorescence in solution and in the solid state, with the maximum quantum yield approaching 100% (2 in solution). DFT computational studies showed that in both Au-10(I) and Au-8(I) clusters metal-centered Au --> Au charge transfer transitions mixed with some pi-alkynyl MLCT character play a dominant role in the observed phosphorescence.

  DOI：

  10.1021/ic300856h
• 作为产物：
  描述：

  (tetrahydrothiophene)gold(I) chloride 、 9-乙炔-9-芴醇 在 Et₃N 作用下， 以 丙酮 为溶剂， 以89%的产率得到[Au(CC-9-fluorenol)]10
  参考文献：
  名称：

  Intensely Luminescent Homoleptic Alkynyl Decanuclear Gold(I) Clusters and Their Cationic Octanuclear Phosphine Derivatives

  摘要：

  Treatment of Au(SC4H8)Cl with a stoichiometric amount of hydroxyaliphatic alkyne in the presence of NEt3 results in high-yield self-assembly of homoleptic clusters (AuC2R)(10) (R = 9-fluorenol (1), diphenylmethanol (2), 2,6-dimethyl-4-heptanol (3), 3-methyl-2-butanol (4), 4-methyl-2-pentanol (4), 1-cyclohexanol (6), 2-borneol (7)). The molecular compounds contain an unprecedented catenane metal core with two interlocked 5-membered rings. Reactions of the decanuclear clusters 1-7 with gold-diphosphine complex [Au-2(1,4-PPh2-C6H4-PPh2)(2)](2+) lead to octanuclear cationic derivatives [Au-8(C2R)(6)(PPh2-C6H4-PPh2)(2)](2+) (8-14), which consist of planar tetranuclear units {Au-4(C2R)(4)} coupled with two fragments [AuPPh2-C6H4-PPh2(AuC2R)](+). The titled complexes were characterized by NMR and ESI-MS spectroscopy, and the structures of I, 13, and 14 were determined by single-crystal X-ray diffraction analysis. The luminescence behavior of both Au-10(I) and Au-8(I) families has been studied, revealing efficient room-temperature phosphorescence in solution and in the solid state, with the maximum quantum yield approaching 100% (2 in solution). DFT computational studies showed that in both Au-10(I) and Au-8(I) clusters metal-centered Au --> Au charge transfer transitions mixed with some pi-alkynyl MLCT character play a dominant role in the observed phosphorescence.

  DOI：

  10.1021/ic300856h