[Ni(N,N′-dimethyl-3,7-diazanonane-1,9-dithiolato)Ru(H₂O)(η⁵-C₅H₄Me)](PF₆) | 1417346-66-7

• 英文名称: [Ni(N,N′-dimethyl-3,7-diazanonane-1,9-dithiolato)Ru(H₂O)(η⁵-C₅H₄Me)](PF₆)
• CAS: 1417346-66-7
• 化学式: C₁₅H₂₉N₂NiORuS₂*F₆P
• 分子量: 622.264
• InChiKey: SDQBXTPDHDFFQY-UHFFFAOYSA-L

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：

  [Ni(N,N′-dimethyl-3,7-diazanonane-1,9-dithiolato)Ru(H₂O)(η⁵-C₅H₄Me)](PF₆) 、 氧气 以 水 为溶剂， 生成 [Ni(N,N′-dimethyl-3,7-diazanonane-1,9-dithiolato)Ru(η²-O₂)(η⁵-C₅MeH₄)](PF₆)
  参考文献：
  名称：

  Selective Redox Activation of H₂ or O₂ in a [NiRu] Complex by Aromatic Ligand Effects

  摘要：

  We present two closely related series of a [NiFe] hydrogenase analogue. Based on a [NiRu] core, these complexes demonstrate inactivity, H-2 activation, or O-2 activation depending only on the nature of the Ru-coordinated aromatic ligand. It is demonstrated that even small changes made to this aromatic ligand can modulate the catalytic activity of the complex. Structural, electrochemical, kinetic, and thermodynamic studies reveal that differences in activation and binding modes of the substrates, combined with differences in a donation and lability of the aromatic ligands, result in abrupt changes in catalytic activity.

  DOI：

  10.1021/om300833m
• 作为产物：
  描述：

  [Ni(N,N′-dimethyl-3,7-diazanonane-1,9-dithiolato)] 、 {(η5-methylcyclopentadienyl)rutheniumtris(acetonitrile)}PF6 以 水 为溶剂， 反应 2.0h， 以89%的产率得到[Ni(N,N′-dimethyl-3,7-diazanonane-1,9-dithiolato)Ru(H₂O)(η⁵-C₅H₄Me)](PF₆)
  参考文献：
  名称：

  Selective Redox Activation of H₂ or O₂ in a [NiRu] Complex by Aromatic Ligand Effects

  摘要：

  We present two closely related series of a [NiFe] hydrogenase analogue. Based on a [NiRu] core, these complexes demonstrate inactivity, H-2 activation, or O-2 activation depending only on the nature of the Ru-coordinated aromatic ligand. It is demonstrated that even small changes made to this aromatic ligand can modulate the catalytic activity of the complex. Structural, electrochemical, kinetic, and thermodynamic studies reveal that differences in activation and binding modes of the substrates, combined with differences in a donation and lability of the aromatic ligands, result in abrupt changes in catalytic activity.

  DOI：

  10.1021/om300833m