bis{[2-(hydroxyphenylimino)methyl]4-(ptolyldiazenyl)phenoxido}dicopper(II) | 1416370-58-5

• 英文名称: bis{[2-(hydroxyphenylimino)methyl]4-(ptolyldiazenyl)phenoxido}dicopper(II)
• CAS: 1416370-58-5
• 化学式: C₄₀H₃₀Cu₂N₆O₄
• 分子量: 785.808
• InChiKey: NUOGWOIRQQMDBT-KQFZORSRSA-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

• 作为产物：
  描述：

  2-{[(2-hydroxyphenylimino)methyl]-4-(p-tolyldiazenyl)}phenol 在 copper(II) acetate monohydrate 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以57%的产率得到bis{[2-(hydroxyphenylimino)methyl]4-(ptolyldiazenyl)phenoxido}dicopper(II)
  参考文献：
  名称：

  X-ray diffraction, magnetochemical, and quantum chemical study of the structure and properties of binuclear copper(II) complexes

  摘要：

  The binuclear chelates of copper(II) based on the tridentate azomethine ligands were synthesized and characterized by elemental analysis, IR, H-1 NMR spectroscopy, X-ray absorption spectroscopy (XANES and EXAFS), and magnetic measurements. The quantum-chemical study of the structure and calculation of magnetic properties of the obtained metal-chelates was performed using the density functional theory with the broken symmetry technique. The performed magnetochemical studies in the temperature range 2-300 K suggest the existence of antiferromagnetic exchange interaction in all obtained complexes. The parameters of the exchange interaction -2J > 260 cm(-1) were determined experimentally for all compounds, the experimental data is in a good agreement with the results of quantum-chemical calculations.

  DOI：

  10.1134/s1070363212110047