| 186179-51-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 186179-51-1
• 化学式: C₂₂H₂₈CuN₂O₈
• 分子量: 512.019
• InChiKey: ZJYOAMZRGXEWCX-FWWOJAOHSA-L

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'-bis(3-formyl-5-methylsalicylidene)propane-1,3-diaminato}copper(II) 、 盐酸羟胺 在 Et₃N 作用下， 以 甲醇 为溶剂， 以48%的产率得到
  参考文献：
  名称：

  Dicopper Complexes with a Dissymmetric Dicompartmental Schiff Base−Oxime Ligand:  Synthesis, Structure, and Magnetic Interactions

  摘要：

  A dicopper(II) complex with an unsymmetrical dicompartmental ligand containing bridging phenolic oxygen atoms was synthesized by stepwise condensation, in the presence of copper(II) ions, of 2,6-diformyl-4-methylphenol and diaminopropane, followed by hydroxylamine. The complex was isolated and characterized as Cl-, [Cu2Cl4](2-), and ClO4- derivatives. A byproduct of the reaction, a copper(II) complex with a substituted salycilaldoxime, was also structurally characterized. The structure of the binuclear cation of major interest is nearly planar, with the copper(II) ions slightly displaced to opposite sides of the plane of the donor atoms (<0.20 Angstrom). [Cu2Cl4](2-) is an unusual anion, having been characterized previously in only five other compounds. It is flat, with both copper(I) ions in trigonal planar environments and two chlorides bridging the two copper(I) centers. X-ray structure determinations of the [Cu2Cl4](2-) and ClO4- derivatives of the dicopper complex reveal a strong tendency for the formation of coordination dimers and tetramers. These aggregates arise because an oxime oxygen from one binuclear cationic complex coordinates axially to the copper atom of another such complex. In the case of the [CU2Cl4](2-) salt, the anion forms additional bridges between binuclear complexes,resulting in polymeric chains. In the ClO4- salt, however, aggregation is limited to the tetramer because of terminal axially coordinated methanol molecules. Temperature-dependent magnetic susceptibility measurements show strong antiferromagnetic interaction (ca. -700 cm(-1)) between the two copper(II) ions within one binuclear cationic complex. No magnetic interactions have been observed between binuclear units. Cyclic voltammograms were measured in dimethylformamide (DMF) solution and show two separate reduction waves at -1.47 and -1.04 V, as well as an oxidation wave at +0.04V (vs Fc(+)/Fc). The mixed-valent Cu-II/Cu-I complex is thermodynamically stable toward disproportionation.

  DOI：

  10.1021/ic9601145