| 170659-71-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• CAS: 170659-71-9
• 化学式: C₁₇H₁₄CuN₃O₄*ClO₄
• 分子量: 487.312
• InChiKey: VAHCVSVYTBPYNS-UHFFFAOYSA-M

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：

  1,10-菲罗啉 、 copper(II) perchlorate hexahydrate 、 copper(II) bis(γ-nitroacetylacetonate) hydrate 以 乙醇 为溶剂， 以82%的产率得到
  参考文献：
  名称：

  Hybridization effects on the spectra and structure of solvatochromic copper(II) chelates containing β-diones and nitrogenous bases

  摘要：

  A series of copper(II) chelates containing a bidentate nitrogenous base (1,2-diamine or heteroaromatic alpha-diimine, enR), the anion of a beta-dione, beta(-), and the ClO4- group, [Cu(enR)beta]ClO4, was prepared and characterized and the influence of hybridization of the nitrogen donor atoms on the spectra and structure of these compounds was assessed. The spectra (IR, ESR, electronic excitation) indicate that in the absence of steric interference, the CuN2O2 chromophore attains square planar geometry. The ESR observables suggest appreciable covalency. Changes in the structure occur because of the susceptibility of the coordinatively unsaturated [Cu(enR)beta](+) entity to covalent interactions, which are enhanced as the hybridization of the nitrogen donor atoms changes from sp(3) to sp(2). The solvatochromism of the compounds implicates tetragonal distortions in strongly polar solvents and deformed square pyramidal structures in the presence of weakly coordinating anions or molecules. Details of the structure of the [Cu(enR)beta](+) entity and the conformation and configuration of the 1,2-diamines were gathered from the X-ray study of (1-(2-aminoethyl)pyrrolidine)(pentane-2,4-dionato) copper(II) perchlorate, [Cu(aep)acac]ClO4. The orthorhombic compound crystallises in the Pna2(1) space group. The crystal data and the R value are: a = 24.5370(7), b = 8.4785(4), c = 7.6720(3) Angstrom, V-c = 1596(1) Angstrom(3), Z = 4, R = 0.0428 for 1099 observed unique reflections.

  DOI：

  10.1016/0020-1693(95)04663-t