| 856896-36-1

• CAS: 856896-36-1
• 化学式: C₃₀H₃₈Cl₂Cu₂N₄O₁₀
• 分子量: 812.651
• InChiKey: AAAXQSMVDAUNNT-CKELMWQISA-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：

  copper(II) perchlorate hexahydrate 、 N,N'-bis(3-formyl-5-n-butyl-salicylidene)ethylenediimine 、 copper(II) acetate monohydrate 、 1,3-丙二胺 以 甲醇 为溶剂， 以52%的产率得到
  参考文献：
  名称：

  DFT theoretical, synthesis, X-ray diffraction and IR studies on new dinuclear copper macrocyclic complexes

  摘要：

  Two symmetric dinuclear copper (II) macrocyclic complexes ([Cu2L](ClO4)(2) and [Cu2L'](ClO4)(2)) were unexpectedly obtained by the cyclocondensation between N,N'-bis(3-formyl-5-n-butylsalicylidene)ethylenediimine and 1,3-diaminopropane in the presence of copper (II) perchlorate and characterized by some physical methods. Both complexes were determined by X-ray diffraction techniques. DFT theoretical calculation was used to discuss the structure and to assign the IR spectra of the cation of the Complex ([Cu2L](ClO4)(2), the complete vibration spectral analysis was performed. A good agreement is obtained between DFT theoretical calculation results and the experimental data for the complex ([Cu2L](ClO4)(2). (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2005.02.026