[Cu(II)Cl(1,10-phenanthroline-5,6-dione)2]PF6*H2O | 478917-11-2

• 英文名称: [Cu(II)Cl(1,10-phenanthroline-5,6-dione)2]PF6*H2O
• CAS: 478917-11-2
• 化学式: C₂₄H₁₂ClCuN₄O₄*F₆P*H₂O
• 分子量: 682.362
• InChiKey: AKXLDSHOQSHOIX-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  ammonium hexafluorophosphate 、 copper(II) choride dihydrate 、 1,10-邻二氮杂菲-5,6-二酮 以 乙醇 为溶剂， 以92%的产率得到[Cu(II)Cl(1,10-phenanthroline-5,6-dione)2]PF6*H2O
  参考文献：
  名称：

  Crystal structures, electronic absorption and reflectance spectral behaviors, and electrochemical properties of five-coordinated chlorocopper(II) complexes with 5,6-disubstituted-1,10-phenanthroline

  摘要：

  The five-coordinated geometries around the Cu(II) centers in [CuCl(dmphen)(2)]PF6 (1; dmphen = 5,6-di-methyl-1,10-phenanthroline) and [CuCl(phendione)(2)]PF6 (.) H2O (2; phendione = 1,10-phenanthroline-5,6-dione) are distorted square-pyramidal in contrast to the distorted trigonal-bipyramidal [CuCl(phen)(2)]PF6 (phen = 1, 10-phenanthroline), reflecting introductions of substituents into the 5- and 6-positions on phen. It has been found that these geometries in I and 2 are considerably dependent on the interactions between the pi-electronic systems of the phen frameworks. The diffuse reflectance spectra significantly reflect geometrical differences of 1 and 2 from [CuCl(phen)(2)]PF6. The electronic absorption spectra suggest that the geometries of 1 and 2 in solution are similar to those in the crystalline state, while the geometry of [CuCl(phen)2]PF6 seems to be changed from distorted trigonal-bipyramid to square-pyramid. The electrochemical experiments indicate that the redox properties of these complexes are appreciably influenced by the electronic characters of the substituents on the phen frameworks. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(02)01157-9