[Fc(NH)₂]Ru(PMe₂Ph)₃ | 1430813-98-1

• 英文名称: [Fc(NH)₂]Ru(PMe₂Ph)₃
• CAS: 1430813-98-1
• 化学式: C₃₄H₄₃FeN₂P₃Ru
• 分子量: 729.567
• InChiKey: HJXIXXYXBKAERB-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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  1,1'-ferrocene diamine 、 cis-RuCl₂(PPhMe₂)₄ 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 [Fc(NH)₂]Ru(PMe₂Ph)₃
  参考文献：
  名称：

  Characterization of an Iron–Ruthenium Interaction in a Ferrocene Diamide Complex

  摘要：

  Reaction of [fc(NH2)(2)]RuCl2(PPh3)(2) (fc = 1,1'-ferrocenylene) with 2 equiv of (KOBu)-Bu-t led to the formation of a diamido ruthenium complex, [fc(NH)(2)]Ru(PPh3)(2), whose solid-state molecular structure revealed a short Fe-Ru distance. A metal-to-metal charge transfer band was observed in the electronic absorption spectrum of [fc(NH)(2)]Ru(PPh3)(2). The Fe-Ru interaction was characterized by resonance Raman spectroscopy for the first time and also by H-1 NMR, UV-vis, NIR, Mossbauer spectroscopy, and X-ray crystallography. Density functional theory (DFT) calculations including natural bond order analysis, Bader's atom in molecules method, and time dependent DFT (TDDFT) provided further support that the iron-ruthenium bond is a weak donor-acceptor interaction with iron acting as the Lewis base.

  DOI：

  10.1021/ic400773s