trans-[iridium(III)(hydride)chloride(triphenylphosphine)2(NC5H4N2C6H4Me)]chloride | 1313008-87-5

• 英文名称: trans-[iridium(III)(hydride)chloride(triphenylphosphine)2(NC5H4N2C6H4Me)]chloride
• 英文别名: trans-[IrHCl(PPh3)2(NC5H4N2C6H4Me)]Cl
• CAS: 1313008-87-5
• 化学式: C₄₈H₄₂ClIrN₃P₂*Cl
• 分子量: 985.955
• InChiKey: YKOWAJWWQXKYID-YHOZKRMJSA-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

• 作为产物：
  描述：

  2-(3-methylphenylazo)pyridine 、 [iridium(III)trichloride(triphenylphosphine)2] 以 乙醇 为溶剂， 以25%的产率得到trans-[iridium(III)(hydride)dichloride(triphenylphosphine)(NC5H4N2C6H4Me)]
  参考文献：
  名称：

  Hydrido iridium(III) complexes of azoaromatic ligands. Isolation, structure and studies of their physicochemical properties

  摘要：

  Reactions of 2-(arylazo)pyridine (La-c) with [IrCl3(PPh3)(2)] in two different solvents, viz. ethanol and toluene are reported. In refluxing toluene two new isomeric (mer and fac geometries) iridium complexes, having molecular formula [IrCl3(PPh3)(L)] (1 and 2) have been isolated. The reaction in refluxing ethanol yielded two new hydrido complexes of molecular formula [IrHCl2(PPh3)(L)] (3) and [IrHCl(PPh3)(2)(L)]Cl (4) along with the compound 2. All the complexes have been thoroughly characterized by NMR, UV-Vis spectroscopy, cyclic voltammetry and X-ray crystallographic analysis. The H-1 NMR spectra of the hydrido complexes 3 and 4 showed a doublet and a triplet signals at delta -20.43 and -14.82 respectively due to coupling with magnetically equivalent phosphorous nuclei. Strong trans influence of the pi-acceptor ligands guided the X-ray structural parameters; bonds trans to the these ligands are unusually long. Similar elongation effect was also noted for the bonds trans to the coordinated hydrido ligand. UV-Vis-NIR spectrum consisted of multiple transitions in the UV and visible regions. Cyclic voltammetry of each of these complexes has exhibited a reductive response between -0.25 and -0.55 V, which has been assigned to azoligand reduction. The compound 3, however, showed a quasireversible oxidative wave near 1.45 V, due to Ir-III/Ir-IV couple. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.02.029