[Ir(H)2Cl(di-ortho-xylyl-α-diketimine)(tert-butyl isocyanide)] | 1311994-31-6

• 英文名称: [Ir(H)2Cl(di-ortho-xylyl-α-diketimine)(tert-butyl isocyanide)]
• CAS: 1311994-31-6
• 化学式: C₂₅H₃₅ClIrN₃
• 分子量: 605.246
• InChiKey: UIBYJOAJXSOKGR-VFXGGTGRSA-M

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：

  N,N'-bis(2,6-dimethylphenyl)butane-2,3-diimine 以 四氢呋喃 、 苯 为溶剂， 生成 [Ir(H)2Cl(di-ortho-xylyl-α-diketimine)(tert-butyl isocyanide)]
  参考文献：
  名称：

  Rhodium and Iridium Complexes with α‐Diketimine Ligands: Oxidative Addition of H ₂ and O ₂

  摘要：

  AbstractThe treatment of [M(μ‐Cl)(coe)2]2 (M = Rh, Ir; coe = cyclooctene) with the α‐diketimines ArN=C(Me)C(Me)=NAr (Ar = Ph, Xy; Xy = 2,6‐Me2C6H3) in thf, followed by the addition of CNtBu, gave the α‐diketimine complexes [M(Cl){ArN=C(Me)C(Me)=NAr} (CNtBu)] (1: M = Rh, Ar = Ph; 2: M = Rh, Ar = Xy; 3: M = Ir, Ar = Xy). The reaction of 3 with dihydrogen resulted in the formation of the iridium dihydrido complex [Ir(Cl)(H)2{XyN=C(Me)C(Me)=NXy}(CNtBu)] (4). The complexes 2 and 3 reacted with O2 or 18O2 to yield the peroxido complexes [M(Cl)(O2){XyN=C(Me)C(Me)=NXy}(CNtBu)] (5a: M = Rh; 6a: M = Ir) and [M(Cl)(18O2){XyN=C(Me)C(Me)=NXy}(CNtBu)] (5b: M = Rh; 6b: M = Ir), respectively. All of the complexes were characterized by NMR and IR spectroscopy. In addition, complexes 3 and 5a were characterized by X‐ray crystallography.

  DOI：

  10.1002/ejic.201100135