benzimidazole(carbonyl)hydrido(isothiocyanato)bis(triphenylphosphine)ruthenium(II) monohydrate | 1245222-75-6

• 英文名称: benzimidazole(carbonyl)hydrido(isothiocyanato)bis(triphenylphosphine)ruthenium(II) monohydrate
• CAS: 1245222-75-6
• 化学式: C₄₅H₃₇N₃OP₂RuS*H₂O
• 分子量: 848.907
• InChiKey: HOZHVYIPZKXDFL-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：

  硫氰酸铵 、 苯并咪唑 、 [RuHCl(CO)(PPh₃)₃] 以 甲醇 为溶剂， 以60%的产率得到benzimidazole(carbonyl)hydrido(isothiocyanato)bis(triphenylphosphine)ruthenium(II) monohydrate
  参考文献：
  名称：

  Synthesis, crystal, molecular and electronic structures of thiocyanate hydrido-carbonyl ruthenium(II) complexes with imidazole derivatives ligands

  摘要：

  [RuH(CO)(SCN)(PPh3)(3)] and [RuH(CO)(SCN)(PPh3)(2)(L)]{SCN} complexes (where L = benzimidazole, 2-(2-pyridyl)benzimidazole and 2,2'-bis(4,5-dimethylimidazolyl)) have been prepared and studied by IR, NMR, UV-Vis spectroscopy and X-ray crystallography. Electronic structures and bonding of the obtained complexes were defined on the basis of DFT method. Values of the ligand field parameter 10Dq and Racah's parameters were estimated for the studied compounds, and the luminescence properties were determined. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.05.019