([(η5-C5Me5)Ir(η5-semiquinone)][CF3SO3])n | 823810-29-3

• 英文名称: ([(η5-C5Me5)Ir(η5-semiquinone)][CF3SO3])n
• 英文别名: ([Cp*Ir(η5-semiquinone)][CF3SO3])n
• CAS: 823810-29-3
• 化学式: CF₃O₃S*C₁₆H₂₀IrO₂
• 分子量: 585.624
• InChiKey: HZBKLLTVLYXROB-UHFFFAOYSA-M

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

• 作为产物：
  描述：

  bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] 、 silver trifluoromethanesulfonate 、 对苯二酚 、 丙酮 以 丙酮 为溶剂， 以94%的产率得到([(η5-C5Me5)Ir(η5-semiquinone)][CF3SO3])n
  参考文献：
  名称：

  η⁵-Semiquinone Complexes and the Related η⁴-Benzoquinone of (Pentamethylcyclopentadienyl)rhodium and -iridium:  Synthesis, Structures, Hydrogen Bonding, and Electrochemical Behavior

  摘要：

  Treatment of hydroquinone with [Cp*M(solvent)3] [OTf](2) (M = Rh, Ir) in acetone afforded the T-bonded complexes {[Cp*M(eta(5)-semiquinone)] [OTf]}(n) (M = Rh (1a), M = Ir (1b)) in 95% yield. The H-1 NMR spectra of 1a,b recorded in CD3OD indicate strong hydrogen bonding in solution. The crystal structures of 1a and 1b were determined and exhibit strong intermolecular hydrogen bonding, forming organometallic polymers in which the integrity of the system is maintained by hydrogen bonding between metal-semiquinone subunits. Deprotonation of 1a produced the related eta(4)-quinone complex [Cp*Rh(eta(4)-quinone)] (2a), which was fully characterized and its X-ray molecular structure determined. Furthermore, the electrochemical behavior of these eta(4) -quinone pi-complexes [Cp*M(eta(4)-quinone)] (M = Rh (2a), M = Ir (2b)) was investigated and compared to that of the well-known couple quinone/ hydroquinone. The latter are important species in chemistry and biology; their biological action is often linked to their electron-transfer rates and redox behavior.

  DOI：

  10.1021/om049292t