| 1544271-25-1

• CAS: 1544271-25-1
• 化学式: C₃₄H₃₂Br₂Cu₃N₄O₄
• 分子量: 911.098
• InChiKey: KFNKYVHPYMRBAB-FOWFEXJWSA-H

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：

  N,N'-二亚水杨基-1,3-二氨基丙烷 、 copper(ll) bromide 以 甲醇 为溶剂， 反应 2.0h， 以56%的产率得到
  参考文献：
  名称：

  A new linear double phenoxide-bridged trinuclear Cu(II) Schiff base complex: Synthesis, crystallographic elucidation, magneto-structural correlation and DFT Study

  摘要：

  The tetradentate (ONNO) donor Schiff base ligand LH2, derived from the condensation of salicylaldehyde and 1,3-diaminopropane, has been synthesized and reacted with CuBr2 to yield a trinuclear complex with the molecular formula [Cu3L2Br2]. Single crystal X-ray diffraction study reveals that the two terminal copper atoms adopt a square pyramidal geometry, whereas the central copper atom, situated at the inversion centre, is surrounded by four phenoxide oxygen atoms in a square planar fashion. Variable temperature magnetic susceptibility measurement study shows strong antiferromagnetic intra-trimer interactions between the copper centers with a J value of -302 cm(-1). EPR study of the complex depicts that, due to the exchange coupling between the copper ions, the EPR spectra were unresolved, having very broad resonances with g = 2.133. A theoretical DFT calculation was also carried out to supplement the experimental results. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.12.006