(1,10-phenanthroline(+2H))[OsCl6] | 95253-57-9

• 英文名称: (1,10-phenanthroline(+2H))[OsCl6]
• CAS: 95253-57-9
• 化学式: C₁₂H₁₀N₂*Cl₆Os
• 分子量: 585.143
• InChiKey: GLBLTUUSXQXHMB-UHFFFAOYSA-J

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

• 作为反应物：
  描述：

  (1,10-phenanthroline(+2H))[OsCl6] 以 neat (no solvent, solid phase) 为溶剂， 生成 [Os(1,10-phenanthroline)Cl4]
  参考文献：
  名称：

  Osmium Complexes Containing N-Heterocyclic Carbene-Based C,N,C-Pincer Ligands

  摘要：

  Osmium(II) complexes bearing C,N,C-pincer ligand 2,6-bis(alkylimidazolin-2-ylidene)pyridine (CNC-Me and CNC-Bu for alkyl = methyl and n-butyl, respectively) or 2,6-bis(3-butylbenzimidazolin-2-ylidene)pyridine (CNC'-Bu) and aromatic diimine (2,2'-bipyridine (bpy)/1,10-phenanthroline (phen)) have been prepared. The X-ray crystal structure of [Os(CNC-Me)(bpy)Cl](PF6) shows that the Os C bonds are essentially single (Os-C distances = 2.042(4) and 2.059(4) angstrom). Spectroscopic comparisons of [Os(C,N,C)(diimine)Cl](+) and [Os(tpy)(bpy)Cl](+) (tpy = 2,2';6',2 ''-terpyridine) suggest that the lowest-energy absorption bands for [Os(C,N,C)(diimine)Cl](+) originate from a d(pi)(Os-II)->pi*(diimine) metal-to-ligand charge-transfer (MLCT) transition. Density functional theory calculations reveal that the pi*(diimine) levels in [Os(C,N,C)(diimine)Clr are lower lying than the pi*(C,N,C). The Os(II/III) oxidation waves for [Os(C,N,C)(diimine)Clr are reversible, with E-1/2 = -0.03 to 0.16 V vs Cp2Fe+/0. The absorption spectra for the Os(III) species have been obtained by spectroelectrochemical methods.

  DOI：

  10.1021/om100183a
• 作为产物：
  描述：

  1,10-菲罗啉 、 potassium hexachloroosmate(IV) 以 盐酸 为溶剂， 生成 (1,10-phenanthroline(+2H))[OsCl6]
  参考文献：
  名称：

  Osmium Complexes Containing N-Heterocyclic Carbene-Based C,N,C-Pincer Ligands

  摘要：

  Osmium(II) complexes bearing C,N,C-pincer ligand 2,6-bis(alkylimidazolin-2-ylidene)pyridine (CNC-Me and CNC-Bu for alkyl = methyl and n-butyl, respectively) or 2,6-bis(3-butylbenzimidazolin-2-ylidene)pyridine (CNC'-Bu) and aromatic diimine (2,2'-bipyridine (bpy)/1,10-phenanthroline (phen)) have been prepared. The X-ray crystal structure of [Os(CNC-Me)(bpy)Cl](PF6) shows that the Os C bonds are essentially single (Os-C distances = 2.042(4) and 2.059(4) angstrom). Spectroscopic comparisons of [Os(C,N,C)(diimine)Cl](+) and [Os(tpy)(bpy)Cl](+) (tpy = 2,2';6',2 ''-terpyridine) suggest that the lowest-energy absorption bands for [Os(C,N,C)(diimine)Cl](+) originate from a d(pi)(Os-II)->pi*(diimine) metal-to-ligand charge-transfer (MLCT) transition. Density functional theory calculations reveal that the pi*(diimine) levels in [Os(C,N,C)(diimine)Clr are lower lying than the pi*(C,N,C). The Os(II/III) oxidation waves for [Os(C,N,C)(diimine)Clr are reversible, with E-1/2 = -0.03 to 0.16 V vs Cp2Fe+/0. The absorption spectra for the Os(III) species have been obtained by spectroelectrochemical methods.

  DOI：

  10.1021/om100183a