(2-ferrocenyl)(η5-indenyl)FeCp | 223747-34-0

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: (2-ferrocenyl)(η5-indenyl)FeCp
• 英文别名: [η5-(2-ferrocenyl)indenyl]Fe(cyclopentadienyl)；cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-yl-1H-inden-1-ide;iron(2+)
• CAS: 223747-34-0
• 化学式: C₂₄H₂₀Fe₂
• 分子量: 420.117
• InChiKey: BAHHGVXUVGBRRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  (2-ferrocenyl)(η5-indenyl)FeCp 在 (n-C₄H₉)4NPF₆ 作用下， 以 二氯甲烷 为溶剂， 生成 [η5-(2-ferrocenyl)indenyl]Fe(cyclopentadienyl)(1+)
  参考文献：
  名称：

  Mixed Valence Properties in Ferrocenyl-Based Bimetallic FeCp−Indenyl−ML_n Complexes: Effect of the ML_n Group

  摘要：

  A series of ferrocenyl-based complexes of general structure [eta(5)-(2-ferrocenyl)indenyI]MLn [MLn = RuCp*, FeCp, IrCOD, Mn(CO)(3), and Cr(CO)(2)NO] were synthesized with the aim of tuning the effect of the nature of the second metal group MLn on the magnitude of the metal-metal electronic coupling in their mixed valence ions generated by electrochemical oxidation. The electronic interaction was probed by determining different and independent physical properties, the potential splitting in the cyclic voltammograms, and the IT bands in the near-IR spectra, which were rationalized in the framework of Marcus-Hush theory and at the quantum chemistry level by the density functional theory and TD density functional theory methods. On the basis of the obtained results, we were able to establish a trend based on the magnitude of the Fe-M electron transfer parameters H-ab and alpha ranging from weakly to moderately coupled mixed valence ions.

  DOI：

  10.1021/om800954b
• 作为产物：
  描述：

  [CpFe(fluorene)]PF6 、 (2-ferrocenyl)indene 在 NaH 作用下， 以 四氢呋喃 、 正戊烷 为溶剂， 以43%的产率得到(2-ferrocenyl)(η5-indenyl)FeCp
  参考文献：
  名称：

  Synthesis of (ferrocenyl-indenyl)cyclopentadienyliron compounds with and without a bridging group via a CpFe transfer reaction

  摘要：

  A series of {ferrocenyl-indenyl}cyclopentadienyliron complexes with and without a spacer (spacer = -C6H4-, -C=C-, -CH2-) was prepared using a CpFe transfer reaction. All the compounds studied showed two successive one-electron transfers. The Delta E-1/2 values depend upon the spacer in the order: acetylenic > methylene > phenylene. The complex {1-(C5H5FeC5H4)-indenyl} FeCp (1b) was characterized by X-ray diffraction. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(98)00368-5