fac-ClRe(CO)3(PPh3)2 | 927868-66-4

• 英文名称: fac-ClRe(CO)3(PPh3)2
• CAS: 927868-66-4
• 化学式: C₃₂H₂₂ClO₅P₂Re
• 分子量: 770.131
• InChiKey: RUQVZXAFIWCSTI-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：

  [Cp*Ir(μ-Cl)3Re(CO)3]*0.125C6H6 、 4,5-bis(diphenylphosphino)-4-cyclopenten-1,3-dione 生成 fac-ClRe(CO)3(PPh3)2
  参考文献：
  名称：

  Preparation and reactivity of the heterobimetallic ReIr face-shared bioctahedral compounds Cp*Ir(μ-Cl)3Re(CO)3 and Cp*Ir(μ-SC6H4Me-4)3Re(CO)3: X-ray diffraction structures and redox behavior

  摘要：

  Thermolysis of the dinuclear compound [Cp*IrCl2](2) (1) with ClRe(CO)(5) (2) leads to the formation of the confacial bioctahedral compound Cp*Ir(mu-Cl)(3)Re(CO)(3) (3) in high yield. Whereas the substitution of the chloride ligands in 3 is observed on treatment with excess p-methylbenzenethiol to furnish the sulfido-bridged compound Cp*Ir(mu-SC6H4Me-4)(3)Re(CO)(3) (4), 3 undergoes fragmentation upon reaction with tertiary phosphines [PPh3 and P(OMe)(3)] to furnish the mononuclear compounds CP*IrCl2P and fac-ClRe-(CO3)P-2. Both 3 and 4 have been isolated and fully characterized in solution by IR and H-1 NMR spectroscopies, and their solid-state structures have been established by X-ray crystallography. The redox properties of 3 and 4 have been explored by cyclic voltammetry, and the results are discussed relative to extended Huckel MO calculations. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.04.023