(5-diphenylphosphino-2,2':5',2''-terthiophene)AuCl | 847227-73-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: (5-diphenylphosphino-2,2':5',2''-terthiophene)AuCl
• 英文别名: diphenyl-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]phosphane;gold(1+);chloride
• CAS: 847227-73-0
• 化学式: C₂₄H₁₇AuClPS₃
• 分子量: 664.99
• InChiKey: RJMQBZMIMMAEMC-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.96
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  84.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (tetrahydrothiophene)gold(I) chloride 、 5-diphenylphosphino-2,2':5',2''-terthiophene 以 二氯甲烷 为溶剂， 以93%的产率得到(5-diphenylphosphino-2,2':5',2''-terthiophene)AuCl
  参考文献：
  名称：

  Structural and Electronic Properties of Phosphino(oligothiophene) Gold(I) Complexes

  摘要：

  A series of gold(I) complexes containing phosphino(oligothiophene) ligands of varying conjugation length has been prepared. Solid state crystal structures of (PT3)AuCl (PT3 = 5-diphenylphosphino-2,2':5',2"-terthiophene) and AuCl-(PTP)AuCl (PTP = 2,5-diphenylphosphinothiophene) have been obtained. The complex AuCl(PTP)AuCl crystallizes as a dimer with two intermolecular Au-Au contacts. Variable temperature NMR spectroscopy is used to demonstrate the presence of aurophilic interactions in solution for Aul(PTP)Aul. Dual emission is observed for AuCl(PTP)AuCl in solution and is attributed to emission from both monomer and dimer. In the solid state, dimer emission is dominant. The iodo analogue, Aul(PTP)Aul, shows only low energy dimer emission in both solution and the solid state. Compounds in which the ligands contain longer bridges (either bithienyl or terthienyl) show absorption and emission bands due to the pi-pi* transition only, both in solution and the solid state.

  DOI：

  10.1021/ic0493200