[(η(5)-C5H4COOH)2)Co][CF3COO] | 411223-57-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: [(η(5)-C5H4COOH)2)Co][CF3COO]
• 英文别名: cobalt(3+);cyclopenta-2,4-diene-1-carboxylic acid;2,2,2-trifluoroacetate
• CAS: 411223-57-9
• 化学式: C₂F₃O₂*C₁₂H₁₀CoO₄
• 分子量: 390.218
• InChiKey: GQKFAWABMRRFHS-UHFFFAOYSA-M

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：

  [(η(5)-C5H4COOH)2)Co][CF3COO] 以 neat (no solvent) 为溶剂， 生成 Co(III)(η5-C5H4COOH)(η5-C5H4COO)
  参考文献：
  名称：

  Reversible Gas−Solid Reactions between the Organometallic Zwitterion [(η⁵-C₅H₄COOH)(η⁵-C₅H₄COO)Co^III] and Vapors of Trifluoroacetic and Tetrafluoroboric Acids

  摘要：

  Exposure of the solid zwitterion [(eta(5)-C5H4COOH)(eta(5)-C5H4COO)Co-III] (1) to vapors of CF3COOH and HBF4 quantitatively produces the corresponding salts of the cation [(eta(5)-C5H4COOH)(2)Co-III](+) (2), namely 2[CF3COO] and 2[BF4]. Both heterogeneous reactions are fully reversible; the acids can be quantitatively removed by mild thermal treatment, which regenerates the starting material. Single crystals of 2[CF3COO] and 2[BF4] for X-ray diffraction can be obtained if the same reaction is carried out in solution. They possess the same structures as those produced in the gas-solid reactions.

  DOI：

  10.1021/om010936w
• 作为产物：
  描述：

  Co(III)(η5-C5H4COOH)(η5-C5H4COO) 、 三氟乙酸 以 neat (no solvent, solid phase) 为溶剂， 生成 [(η(5)-C5H4COOH)2)Co][CF3COO]
  参考文献：
  名称：

  Reversible Gas−Solid Reactions between the Organometallic Zwitterion [(η⁵-C₅H₄COOH)(η⁵-C₅H₄COO)Co^III] and Vapors of Trifluoroacetic and Tetrafluoroboric Acids

  摘要：

  Exposure of the solid zwitterion [(eta(5)-C5H4COOH)(eta(5)-C5H4COO)Co-III] (1) to vapors of CF3COOH and HBF4 quantitatively produces the corresponding salts of the cation [(eta(5)-C5H4COOH)(2)Co-III](+) (2), namely 2[CF3COO] and 2[BF4]. Both heterogeneous reactions are fully reversible; the acids can be quantitatively removed by mild thermal treatment, which regenerates the starting material. Single crystals of 2[CF3COO] and 2[BF4] for X-ray diffraction can be obtained if the same reaction is carried out in solution. They possess the same structures as those produced in the gas-solid reactions.

  DOI：

  10.1021/om010936w