[IrBr(η5-C5Me5)(μ-C2S4)IrBr(η5-C5Me5)] | 827314-50-1

• 英文名称: [IrBr(η5-C5Me5)(μ-C2S4)IrBr(η5-C5Me5)]
• CAS: 827314-50-1
• 化学式: C₂₂H₃₀Br₂Ir₂S₄
• 分子量: 966.992
• InChiKey: FFOFLKPATMAXSM-UHFFFAOYSA-J

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

• 作为产物：
  描述：

  [Ir(η5-C5Me5)(4,5-disulfanyl-1,3-dithiole-2-thionate(2-))] 、 溴 以 乙醇 为溶剂， 生成 [IrBr(η5-C5Me5)(μ-C2S4)IrBr(η5-C5Me5)]
  参考文献：
  名称：

  Oxidation of [Ir(η5-C5Me5)(C3S5)] [C3S52−= 4,5-disulfanyl-1,3-dithiole-2-thionate(2−)] and X-ray crystal structure of [IrBr(η5-C5Me5)(μ-C2S4)IrBr(η5-C5Me5)]

  摘要：

  [Ir(eta(5)-C5Me5)(C3S5)] [C3S52- = 4,5-disulfanyl-1,3-dithiole-2-thionate(2-)] was prepared by a reaction of [NMe4](2)[C3S5] with [Ir(eta(5)-C5Me5)Cl-2](2) in ethanol, It was reacted with bromine to afford a paramagnetic species [IrBr(eta(5)-C5Me5)(C3S5)] with the Ir-Br bond and in the one-electron-oxidized state, and a diamagnetic dinuclear species [IrBr(eta(5)-C5Me5)(mu-C2S4)IrBr(eta(5)-C5Me5)]. ESR spectra for the one-electron-oxidized species in solution are discussed. The X-ray crystal structural analysis for the latter complex revealed the geometry consisting of dinuclear IrBr(eta(5)-C5Me5) moieties bridged by the C2S42- ligand. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.06.054