(η2-[60]-fullerene)bis(diphenylphosphinocymantrene)palladium(0) | 502157-91-7

• 英文名称: (η2-[60]-fullerene)bis(diphenylphosphinocymantrene)palladium(0)
• 英文别名: η2-C60Pd(cymanthrenyldiphenylphosphine)2
• CAS: 502157-91-7
• 化学式: C₁₀₀H₂₈Mn₂O₆P₂Pd
• 分子量: 1603.56
• InChiKey: NIJRCCZJJJKDDW-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：

  (η2-[60]-fullerene)bis(diphenylphosphinocymantrene)palladium(0) 以 甲苯 为溶剂， 生成 足球烯
  参考文献：
  名称：

  Comparison of electrochemical behavior of exohedral palladium complexes with [60]- and [70]-fullerenes and metallocene ligands

  摘要：

  Electronic structures of exohedral palladium complexes of [60]- and [70]-fullerenes with diphenylphosphinoferrocenyl, diphenylphosphinoruthenocenyl, and diphenylphosphinocymantrenyl ligands were studied by cyclic voltammetry and semiempirical quantum-chemical calculations. Probable sites of localization of electronic changes in the molecules of these complexes under electrochemical oxidation and reduction were determined.

  DOI：

  10.1023/b:rucb.0000037844.93864.3c
• 作为产物：
  描述：

  tricarbonyl(η5-diphenylphosphinocyclopentadienyl)manganese 、 足球烯 、 palladium dichloride 在 n-Bu₄NBF₄ 作用下， 以 邻二氯苯 为溶剂， 生成 (η2-[60]-fullerene)bis(diphenylphosphinocymantrene)palladium(0)
  参考文献：
  名称：

  摘要：

  Electrochemical synthesis and voltammetric study of new heterotrimetallic exohedral derivatives of [60](-) and [70]fullerenes containing palladium and manganese atoms were carried out. The MO involved in redox transitions were determined by the semiepirical quantum-chemical calculations and by the comparison of the potentials for the redox transitions of the heterotrimetallic complexes and their fullerene and metal-containing fragments.

  DOI：

  10.1023/a:1020900131485