(η5-cyclopenta[l]phenanthrenyl)FeCp | 400653-71-6

• 英文名称: (η5-cyclopenta[l]phenanthrenyl)FeCp
• 英文别名: (η5-cyclopentadienyl)(η5-cyclopenta[l]phenanthrenyl)iron
• CAS: 400653-71-6
• 化学式: C₂₂H₁₆Fe
• 分子量: 336.216
• InChiKey: MWPFKKCRMPITIU-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：
  None
• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  dicarbonylcyclopentadienyliodoiron(II) 、 1H-环五[l]菲 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 1.08h， 以15%的产率得到(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

文献信息

• Ferrocenes derived from cyclopenta[l]phenanthrene: dibenzindene–metal complexes that resist haptotropic shifts
  作者：Suzie S Rigby、Andreas Decken、Alex D Bain、Michael J McGlinchey

  DOI：10.1016/s0022-328x(01)00937-8

  日期：2001.12

  phosphine. Thus, these systems mimic the behavior of cyclopentadienyl rather than indenyl rings. Molecular orbital calculations on (C17H11)Fe(C5H5) indicate that migration of an organometallic fragment from a peripheral arene into the five-membered ring is thermodynamically favorable, but that a least-motion pathway passing through the central six-membered ring is strongly disfavored. Attempted synthesis

  配合物（η 5 -环戊二烯并[升]菲基）ML Ñ，其中ML Ñ =铁（C 5 ħ 5），铁（C 17 H ^ 11），锰（CO）3或Rh（C 2 H ^ 4）2节目没有倾向经受η 5至η 6个在质子化时haptotropic偏移，也不由膦经历准备更换羰基或乙烯配体。因此，这些系统模仿环戊二烯基而不是茚基环的行为。（C 17 H 11）Fe（C 5 H ）的分子轨道计算5）表明有机金属片段从外围芳烃向五元环的迁移在热力学上是有利的，但是强烈反对通过中心六元环的最小运动路径。（η的尝试合成6 -环戊二烯并[升]菲）的Cr（CO）3，得到代替相应二氢络合物，（C 17 H ^ 13）的Cr（CO）3，和环戊二烯并[的狄尔斯-阿尔德二聚体升]菲与它自己的异茚。