Cp*Ta(OtBu)(CH2SiMe3)(Cp*IrH2) | 1383608-01-2

• 英文名称: Cp*Ta(OtBu)(CH2SiMe3)(Cp*IrH2)
• CAS: 1383608-01-2
• 化学式: C₂₈H₅₂IrOSiTa
• 分子量: 805.974
• InChiKey: LNAHUHFXSQUQRP-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

• 作为产物：
  描述：

  Cp*Ta(CH2SiMe3)2(Cp*IrH2) 、 氢气 、 叔丁醇 以 氘代苯 为溶剂， 生成 Cp*Ta(OtBu)(CH2SiMe3)(Cp*IrH2)
  参考文献：
  名称：

  Early–Late Heterobimetallic Complexes with a Ta–Ir Multiple Bond: Bimetallic Oxidative Additions of C–H, N–H, and O–H Bonds

  摘要：

  A heterobinuclear transition metal complex with a Ta-Ir multiple bond, Cp*(Me3SiCH2)(2)Ta-IrCp*(H)(2) (1), was synthesized using a salt elimination reaction. The isolable complex was characterized by NMR, IR, UV-vis spectroscopy, and X-ray crystallography. Compound I features an exceptionally short intermetallic distance (Ta-Ir 2.4457(3) angstrom). DFT calculation for 1 revealed the presence of a highly covalent bonding nature in spite of the involvement of such disparate d elements. Oxidative additions of C-H, N-H, and O-H bonds to 1 were also investigated.

  DOI：

  10.1021/om300429u