[(1,3-Me2C5H3)2Co](1+)*PF6(1-) | 64799-71-9

• 英文名称: [(1,3-Me2C5H3)2Co](1+)*PF6(1-)
• CAS: 64799-71-9
• 化学式: C₁₄H₁₈Co*F₆P
• 分子量: 390.254
• InChiKey: RJWCVGZHZNHVNJ-UHFFFAOYSA-N

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：

  [(1,3-Me2C5H3)2Co](1+)*PF6(1-) 在 potassium hydroxide 作用下， 以 甲醇-d3 为溶剂， 反应 392.0h， 生成 1,3-dimethylcyclopentadiene
  参考文献：
  名称：

  Rational Synthesis of Metallo-Cations Toward Redox- and Alkaline-Stable Metallo-Polyelectrolytes

  摘要：

  Cations are crucial components in emerging functional polyelectrolytes for a myriad of applications. Rapid development in this area necessitates the exploration of new cations with advanced properties. Herein we describe a combination of computational and experimental design of cobaltocene metallo-cations that have distinct electronic and redox properties. One of the direct outcomes on the first synthesis of a complete set of cation derivatives is to discover highly stable cations, which are further integrated to construct metallo-polyelectrolytes as anion-exchange membranes in solid-state alkaline fuel cells. The device performance of these polyelectrolytes under highly basic and oxidative environments is competitive with many organo-polyelectrolytes.

  DOI：

  10.1021/jacs.9b12051
• 作为产物：
  描述：

  sodium hexaflorophosphate 、 1,3-dimethylcyclopentadiene 、 cobalt(II) bromide 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 3.0h， 以58%的产率得到[(1,3-Me2C5H3)2Co](1+)*PF6(1-)
  参考文献：
  名称：

  Rational Synthesis of Metallo-Cations Toward Redox- and Alkaline-Stable Metallo-Polyelectrolytes

  摘要：

  Cations are crucial components in emerging functional polyelectrolytes for a myriad of applications. Rapid development in this area necessitates the exploration of new cations with advanced properties. Herein we describe a combination of computational and experimental design of cobaltocene metallo-cations that have distinct electronic and redox properties. One of the direct outcomes on the first synthesis of a complete set of cation derivatives is to discover highly stable cations, which are further integrated to construct metallo-polyelectrolytes as anion-exchange membranes in solid-state alkaline fuel cells. The device performance of these polyelectrolytes under highly basic and oxidative environments is competitive with many organo-polyelectrolytes.

  DOI：

  10.1021/jacs.9b12051