[CpCo(C5Me5)]PF6 | 126580-33-4

• 英文名称: [CpCo(C5Me5)]PF6
• 英文别名: 1,2,3,4,5-pentamethylcobalticinium(PF6)；[CpCo(C₅Me₅)]PF₆；[Co(η5-cyclopentadienyl)(η5-pentamethylcyclopentadienyl)][PF6]；[CoCpCp*][PF6]
• CAS: 126580-33-4
• 化学式: C₁₅H₂₀Co*F₆P
• 分子量: 404.281
• InChiKey: ZVKQKXULQUCDIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [CpCo(C5Me5)]PF6 、 碘乙烷 在 氢氧化钾 作用下， 以 neat (no solvent) 为溶剂， 以70%的产率得到1,2,3,4,5-pentaisopentylcobalticinium(PF6)
  参考文献：
  名称：

  Gloaguen, Bruno; Astruc, Didier, Journal of the American Chemical Society, 1990, vol. 112, # 11, p. 4607 - 4609

  摘要：

  DOI：
• 作为产物：
  描述：

  ammonium hexafluorophosphate 、 [(C5Me5)CoI2]2 、 [CpCo(μ-1,3-C₃B₂Me₅)]Tl 以 乙腈 、 水 为溶剂， 以26%的产率得到[CpCo(1,3-C₃B₂Me₅)Co(C₅Me₅)]PF₆
  参考文献：
  名称：

  Monocationic μ-Diborolyl Triple-Decker Complexes [CpCo(μ-1,3-C₃B₂Me₅)M(ring)]⁺: Synthesis, Structures, and Electrochemistry

  摘要：

  Cationic triple-decker complexes with a bridging diborolyl ligand, [CpCo(mu-1,3-C3B2Me5)M(ring)](+) (M-(ring) = CoCp (2a), CoCp* (2b), RhCp (3a), RhCp* (3b), IrCp (4a), IrCp* (4b), Ru(C6H6) (5a), Ru(p-MeC6H4Pri) (5b), Ru(C6Me6) (5c), Ru(eta(6)-cycloheptatriene) (6)), were synthesized by reaction of CpCo(mu-1,3-C3B2Me5)Tl with [M(ring)Hal(2))(2). The structures of 2aBPh(4), 2bPF(6), 4aPF(6), 5aOTf, and 5cPF(6) were determined by X-ray diffraction. The electron-transfer ability of the complexes has been ascertained by electrochemical and spectroelectrochemical techniques. In general, they are able to shuttle reversibly in the sequence 2+/+/0/-, plausibly affording completely delocalized mixed-valence derivatives. DFT calculations revealed structural changes accompanying redox processes and satisfactorily predicted the potentials for the first reduction and first oxidation.

  DOI：

  10.1021/om400178n