Cu3(μ-salpn)2Cl(μ-Cl) | 1310456-06-4

• 英文名称: Cu3(μ-salpn)2Cl(μ-Cl)
• CAS: 1310456-06-4
• 化学式: C₃₄H₃₂Cl₂Cu₃N₄O₄
• 分子量: 822.196
• InChiKey: IZQKKSCQNIMXHO-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：

  copper(II) choride dihydrate 、 N,N'-二亚水杨基-1,3-二氨基丙烷 以 甲醇 为溶剂， 以87%的产率得到Cu3(μ-salpn)2Cl(μ-Cl)
  参考文献：
  名称：

  Synthesis, crystal structure and DFT analysis of a new trinuclear complex of copper

  摘要：

  The new trinuclear complex [Cu-2(mu-L)(2)CuCl2] has been synthesized and characterized by elemental analysis, IR, UV-Vis and X-ray spectroscopy, where L is a dianionic tetradentate Schiff base ligand with N2O2 donor atoms. The molecular structure of [Cu-2(mu-L)(2)CuCl2] was determined by X-ray crystallography. In the complex, the most remarkable aspect of the trinuclear complex is that it adopts a bent structure for the three copper atoms, with a Cu1-Cu3-Cu2 intramolecular angle of approximately 90.62(2)degrees. All three copper atoms are five coordinate, with a slightly distorted square pyramidal geometry. In the two terminals moieties, the basal plane of the square pyramidal is formed by two oxygen atoms and two nitrogen atoms of the Schiff base ligand, and the apical position at the Cu atom is occupied by the bridging Cl1 anion. The Cu1-Cl1-Cu2 angle is 110.51(5)degrees. The central copper atom also has a five-coordinate, slightly distorted square pyramidal geometry, with four phenolato oxygens belonging to the Schiff base ligands from Cu(salpn) units describing the square planar base and the Cl anions being apical. The optimized structure of the complex has been studied using the B3LYP/6-31G(d)/LanL2TZf level of theory. The calculation shows that all the copper atoms are five coordinate with distorted square pyramidal structures, which is consistent with experimental data. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.04.026