[Co(III)(η(5)-C5H4COOH)(η(5)-C5H4COO)][Co(III)(η(5)-C5H4COOH)2](+)[PF6](-) | 232598-15-1

• 英文名称: [Co(III)(η(5)-C5H4COOH)(η(5)-C5H4COO)][Co(III)(η(5)-C5H4COOH)2](+)[PF6](-)
• 英文别名: [(η(5)-C5H4COOH)2Co][(η5-C6H4COOH)(η5-C5H4COO)Co][PF6]
• CAS: 232598-15-1
• 化学式: C₁₂H₉CoO₄*C₁₂H₁₀CoO₄*F₆P
• 分子量: 698.361
• InChiKey: VMNVOZRJBGNIOU-UHFFFAOYSA-M

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

• 作为反应物：
  描述：

  [Co(III)(η(5)-C5H4COOH)(η(5)-C5H4COO)][Co(III)(η(5)-C5H4COOH)2](+)[PF6](-) 以 盐酸 、 硝基甲烷 为溶剂， 生成 [Co(III)(η(5)-C5H4COOH)(η(5)-C5H4COO)]2[K](+)[PF6](-) 、 1,1'-di(carboxylic acid)cobaltocenium hexafluorophosphate
  参考文献：
  名称：

  Hydrogen Bonds within an Ionic Environment:  The Remarkable Behavior of the Zwitterion [Co^III(η⁵-C₅H₄COOH)(η⁵-C₅H₄COO)]

  摘要：

  The organometallic zwitterion [Co-III(eta(5)-C5H4COOH)(eta(5)-C5H4COO)] forms a hydrogen-bonded supramolecular adduct with the cationic acid [Co-III(eta(5)-C5H4COOH)(2)](+) in the solid state and shows self-organization around K+ cations in the mixed system {[Co-III(eta(5)-C5H4COOH)(eta(5)-C5H4COO)](2)}[K](+)[PF6](-).(eta(5)-C5H4COOH)(2)](+) (see Chart 1).(9) In the following we shall discuss self-assembly and HE interactions in crystalline [Co-III(eta(5)-C5H4COOH)(2)](+)[PF6](-) (1) and in the cocrystalline salt of the zwitterionic form [Co-III(eta(5)-C5H4COOH)(eta(5)-C5H4COO)] (see Chart 1), namely {[Co-III(eta(5)-C5H4COOH)(eta(5)-C5H4COO)][Co-III(eta(5)-C5H4COOH)(2)]}(+)[PF6](-) (2). Finally, we will discuss the intriguing interactions between zwitterions and K+ cations in {[Co-III(eta(5)-C5H4COOH)(eta(5)-C5H4COO)](2)}[K](+)[PF6](-) (3).(10).

  DOI：

  10.1021/om990141d

文献信息

• The reaction of the organometallic acid [(η5-C5H4COOH)2CoIII]+ with HBr and HI. Preparation and characterisation of [(η5-C5H4COOH)2CoIII]Br and [(η5-C5H4COOH)2CoIII]I and hydrogen bridges between cations
  作者：Dario Braga、Dario Emiliani、Gianna Cojazzi、Lucia Maini、Marco Polito、Fabrizia Grepioni

  DOI：10.1016/s0022-2860(02)00508-2

  日期：2003.2

  The water soluble dicarboxylic cationic acid [(eta(5) -C5H4COOH)(2)Co-III](+) (1) as its Cl- salt has been treated thermally to produce the neutral zwitterion [(eta(5)-C5H4COOH)(eta(5)-C5H4COO)Co-III] (2). 2 reacts with HBr in water solution to yield the bromide salt of the dicarboxylic acid [(eta(5)-C5H4-COOH)(2)Co-III]Br, 1Br. Preparation of the iodide [(eta(5)-C5H4-COOH)(2)Co-III]I, II, has been achieved by direct oxidation of [(eta(5)-C5H4Me)(2)Co-III]OH with KMnO4 immediately followed by reaction with HI. The crystal structures of 1Br and 1I have been determined by single crystal X-ray diffraction. The hydrogen bonding interactions between the acid cations and between the acid cation and the halide ions, have been investigated. (C) 2003 Elsevier Science B.V. All rights reserved..