| 1422158-12-0

• CAS: 1422158-12-0
• 化学式: C₁₈H₁₄I₂N₄O₂Os
• 分子量: 762.344
• InChiKey: GAEKZDLEUHVHLS-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

• 作为产物：
  描述：

  cis-Os(CO)4(I)2 、 1-benzyl-2-(phenylazo)imidazole 以 乙腈 为溶剂， 反应 4.0h， 生成
  参考文献：
  名称：

  Use of a Ru/Os-CO-diiodide precursor to synthesize heteroleptic 1-alkyl-2-(arylazo)imidazole complexes: The structural characterization, electrochemistry and catalytic activity

  摘要：

  Trans-(I,I)-[MI2(CO)(2)(RaaiR')] (M = Ru, Os) (RaaiR' = 1-alkyl-2-(arylazo)imidazoles) complexes have been synthesized by the reaction of RaaiR' and [Ru(CO)(4)I-2] or [Os(CO)(4)I-2] in acetonitrile solution and the complexes have been characterized by elemental analysis and spectral (FT-IR, UV-Vis, H-1 NMR) data. The structural confirmation has been determined by single crystal X-ray diffraction of trans-(I,I)-[MI2(CO)(2) (HaaiEt)] (M = Ru, 3b; Os, 5b) (HaaiEt = 1-ethyl-2-(phenylazo)imidazole) and has shown a distorted octahedral geometry with a trans-I,I and cis-CO, CO configuration. The complexes show a M(III)/M(II) couple and the reduction of the chelated azoimine ligand. These complexes act as catalysts in the oxidation of PhCH2OH to PhCHO, 2-butanol (C4H9OH) to 2-butanone, cyclopentanol (C5H9OH) to cyclopentanone and cyclohexanol to cyclohexanone by N-methylmorpholine-N-oxide (NMO). The molecular orbital diagram has been drawn by density functional theory (DFT) using the optimized geometry from the single crystal X-ray parameters. The assignments of electronic spectra have been carried out by TD-DFT calculations both in the gas and acetonitrile phases. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.11.013