(2-ferrocenyl)(η5-cyclopenta[l]phenanthrenyl)FeCp | 1569294-22-9

• 英文名称: (2-ferrocenyl)(η5-cyclopenta[l]phenanthrenyl)FeCp
• CAS: 1569294-22-9
• 化学式: C₃₂H₂₄Fe₂
• 分子量: 520.237
• InChiKey: AWTFVQWKPOVWDW-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

• 作为产物：
  描述：

  dicarbonylcyclopentadienyliodoiron(II) 、 (2-ferrocenyl)cyclopenta[l]phenanthrene 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 1.0h， 以10%的产率得到(2-ferrocenyl)(η5-cyclopenta[l]phenanthrenyl)FeCp
  参考文献：
  名称：

  Charge Transfer Properties in Cyclopenta[l]phenanthrene Ferrocenyl Complexes

  摘要：

  The new complexes (2-ferrocenyl)cyclopenta[l]-phenanthrene and (2-ferrocenyl)(eta(5)-cyclopenta[l]phenanthrenyl)FeCp have been prepared and the charge transfer properties of their monocationic derivatives investigated. The cations were generated by chemical oxidation using ferrocenium(BF4) or acetylferrocenium(BF4) as the oxidative agent and monitored in the visible, IR, and near-IR regions. The electrochemistry of the two complexes and, for comparison, of the previously reported (eta(5)-cyclopenta[l]phenanthrenyl)FeCp was analyzed. The charge transfer bands in the near-IR spectral region of the monocations are rationalized in the framework of Marcus-Hush theory. In particular, the monometallic (2-ferrocenyl)cyclopenta[l]phenanthrene displays a single oxidation wave at a potential very close to that of (eta(5)-cyclopenta[l]phenanthrenyl)FeCp and its monocations exhibits a ligand-to-metal charge transfer band in the visnear-IR region. The unsymmetrical diiron species (2-ferrocenyl)(eta(5)-cyclopenta[l]phenanthrenyl)FeCp undergoes two consecutive and well-resolved one-electron oxidations producing, at the first oxidation step, a mixed-valence monocation which displays an intervalence charge transfer band in the vis-near-IR region.

  DOI：

  10.1021/om4009668