[Ru(H){(κ-Si,N-(SiMe2)N(Me)(C5H4N))}3] | 1422352-63-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [Ru(H){(κ-Si,N-(SiMe2)N(Me)(C5H4N))}3]
• 英文别名: Ru(H)[κ-Si,N-(SiMe₂)N(Me)(C₅H₄N)]₃
• CAS: 1422352-63-3
• 化学式: C₂₄H₄₀N₆RuSi₃
• 分子量: 597.948
• InChiKey: MMUUZLZLPNDPFM-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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  tetrakis[3,5-bis(trifluoromethyl)phenyl]boric acid bis(diethyl ether) complex 、 [Ru(H){(κ-Si,N-(SiMe2)N(Me)(C5H4N))}3] 以 二氯甲烷 为溶剂， 反应 1.0h， 以76%的产率得到[Ru{(η²-H-SiMe₂)N(Me)κ-N-(C₅H₄N)}{κ-Si,N-(SiMe₂)N(Me)(C₅H₄N)}₂]{[3,5-(CF₃)₂C₆H₃]₄B}
  参考文献：
  名称：

  Step-by-Step Introduction of Silazane Moieties at Ruthenium: Different Extents of Ru–H–Si Bond Activation

  摘要：

  The coordination of pyridine-2-amino(methyl)dimethylsilane ligands to ruthenium has afforded access to a family of novel complexes that display multicenter Ru-H-Si interactions according to the number of incorporated ligands. The new complexes Ru[kappa-Si,N-(SiMe2)N(Me)(C5H4N)](eta(4)-C8H12)(eta(3)-C8H11) (1), Ru-2(mu-H)(2)(H)(2)[kappa-Si,N-(SiMe2)N(Me)(C3H4N)](4) (2), and Ru(H)[kappa-Si,N-(SiMe2)N(Me)(C5H4N)](3) (3) were isolated and fully characterized. The complexes exhibit different degrees of Si H activation: complete Si H cleavage, secondary interactions between the atoms (SISHA), and re-Si H coordination. Reversible protonation of 3 leading to the cationic complex [RuH{(t/2-HSiMe2)N(Me)kappa-N-(C3H4N)){kappa-Si,N-(SiMe2)N(Me)(C5H4N)}(2)](+)[BAr4F](-) (5) was also demonstrated. The coordination modes in these systems were carefully studied with a combination of X-ray and neutron diffraction analysis, DFT geometry optimization, and multinuclear NMR spectroscopy.

  DOI：

  10.1021/ic302682f
• 作为产物：
  描述：

  pyridine-2-amino(methyl)dimethylsilane 、 Ru[κ-Si,N-(SiMe₂)N(Me)(C₅H₄N)](η⁴-C₈H₁₂)(η³-C₈H₁₁) 以 四氢呋喃 为溶剂， 反应 3.0h， 以91%的产率得到[Ru(H){(κ-Si,N-(SiMe2)N(Me)(C5H4N))}3]
  参考文献：
  名称：

  Step-by-Step Introduction of Silazane Moieties at Ruthenium: Different Extents of Ru–H–Si Bond Activation

  摘要：

  The coordination of pyridine-2-amino(methyl)dimethylsilane ligands to ruthenium has afforded access to a family of novel complexes that display multicenter Ru-H-Si interactions according to the number of incorporated ligands. The new complexes Ru[kappa-Si,N-(SiMe2)N(Me)(C5H4N)](eta(4)-C8H12)(eta(3)-C8H11) (1), Ru-2(mu-H)(2)(H)(2)[kappa-Si,N-(SiMe2)N(Me)(C3H4N)](4) (2), and Ru(H)[kappa-Si,N-(SiMe2)N(Me)(C5H4N)](3) (3) were isolated and fully characterized. The complexes exhibit different degrees of Si H activation: complete Si H cleavage, secondary interactions between the atoms (SISHA), and re-Si H coordination. Reversible protonation of 3 leading to the cationic complex [RuH{(t/2-HSiMe2)N(Me)kappa-N-(C3H4N)){kappa-Si,N-(SiMe2)N(Me)(C5H4N)}(2)](+)[BAr4F](-) (5) was also demonstrated. The coordination modes in these systems were carefully studied with a combination of X-ray and neutron diffraction analysis, DFT geometry optimization, and multinuclear NMR spectroscopy.

  DOI：

  10.1021/ic302682f