[(bis(1-methylimidazol-2-yl)glyoxal)(p-cymene)Cl](PF6) | 1256294-26-4

• 英文名称: [(bis(1-methylimidazol-2-yl)glyoxal)(p-cymene)Cl](PF6)
• 英文别名: [(big)Os(Cym)Cl](PF6)
• CAS: 1256294-26-4
• 化学式: C₂₀H₂₄ClN₄O₂Os*F₆P
• 分子量: 723.053
• InChiKey: BPJBNKLFUIXQTJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [(bis(1-methylimidazol-2-yl)glyoxal)(p-cymene)Cl](PF6) 在 Bu₄NPF₆ 作用下， 以 二氯甲烷 为溶剂， 生成 [(bis(1-methylimidazol-2-yl)glyoxal)(p-cymene)Cl]
  参考文献：
  名称：

  Organoosmium complexes of imidazole-containing chelate acceptor ligands

  摘要：

  The complexes [(L)Os(eta(6)-Cym)Cl](PF6), Cym = p-cymene and L = bis(1-methylimidazol-2-yl) ketone (bik) or bis(1-methylimidazol-2-yl) glyoxal (big), were obtained and characterized with respect to spectroscopy, crystal structure (big complex) and (spectro)electrochemical behaviour at variable temperatures. DFT calculations confirm the structure of [(big)Os(eta(6)-Cym)Cl](+) with imidazolyl-N-bonded Os-II in a boat-shaped seven-membered chelate ring with small N-Os-N angles (<84 degrees). Reduction of this compound proceeds reversibly to a neutral complex of the alpha-semidione radical anion ligand big; EPR and IR spectroelectrochemistry indicate very little participation from the heavy metal in the spin distribution. The analogous [(bik)Os(eta(6)-Cym)Cl](+) could not be reduced reversibly to the ketyl radical complex but displayed a more reversible oxidation at high potential. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.04.007
• 作为产物：
  描述：

  ammonium hexafluorophosphate 、 bis(1-methyl-2-imidazolyl)glyoxal 、 bis[dichlorido(η6-p-cymene)osmium(II)] 以 乙腈 为溶剂， 以30%的产率得到[(bis(1-methylimidazol-2-yl)glyoxal)(p-cymene)Cl](PF6)
  参考文献：
  名称：

  Organoosmium complexes of imidazole-containing chelate acceptor ligands

  摘要：

  The complexes [(L)Os(eta(6)-Cym)Cl](PF6), Cym = p-cymene and L = bis(1-methylimidazol-2-yl) ketone (bik) or bis(1-methylimidazol-2-yl) glyoxal (big), were obtained and characterized with respect to spectroscopy, crystal structure (big complex) and (spectro)electrochemical behaviour at variable temperatures. DFT calculations confirm the structure of [(big)Os(eta(6)-Cym)Cl](+) with imidazolyl-N-bonded Os-II in a boat-shaped seven-membered chelate ring with small N-Os-N angles (<84 degrees). Reduction of this compound proceeds reversibly to a neutral complex of the alpha-semidione radical anion ligand big; EPR and IR spectroelectrochemistry indicate very little participation from the heavy metal in the spin distribution. The analogous [(bik)Os(eta(6)-Cym)Cl](+) could not be reduced reversibly to the ketyl radical complex but displayed a more reversible oxidation at high potential. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.04.007