[η5-(2-ferrocenyl)indenyl]Ru(C5Me5) | 1161011-69-3

• 英文名称: [η5-(2-ferrocenyl)indenyl]Ru(C5Me5)
• CAS: 1161011-69-3
• 化学式: C₂₉H₃₀FeRu
• 分子量: 535.474
• InChiKey: VRQDDVSBGIYWTJ-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：

  [η5-(2-ferrocenyl)indenyl]Ru(C5Me5) 在 (n-C₄H₉)4NPF₆ 作用下， 以 二氯甲烷 为溶剂， 生成 [η5-(2-ferrocenyl)indenyl]Ru(C5Me5)(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：

  (2-ferrocenyl)indene 、 chloro(pentamethylcyclopentadienyl)ruthenium(II) 、 potassium hydride 以 四氢呋喃 为溶剂， 以50%的产率得到[η5-(2-ferrocenyl)indenyl]Ru(C5Me5)
  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