[Cu(1,10-phenanthroline)(acetylacetonate)]NO3 | 224047-77-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: [Cu(1,10-phenanthroline)(acetylacetonate)]NO3
• CAS: 224047-77-2；90423-36-2
• 化学式: C₅H₇O₂*C₁₂H₈N₂*Cu*NO₃
• 分子量: 404.869
• InChiKey: UUZIDERGOUZIJW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.91
• 重原子数：
  26.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  126.12
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  乙酰丙酮 、 1,10-菲罗啉 、 copper(II) nitrate trihydrate 在 氨 作用下， 以 乙醇 、 水 为溶剂， 生成 [Cu(1,10-phenanthroline)(acetylacetonate)]NO3
  参考文献：
  名称：

  Cu–O stretching frequency correlation with phenanthroline pKa values in mixed copper complexes

  摘要：

  A study of Cu-O vibration frequencies in 32 isostructural mixed copper complexes containing eight differently substituted phenanthrolines and four different oxygen donor bidentate ligands, is presented. In all cases linear correlation was found between phenanthroline pK(a) values and the studied vibration frequencies, suggesting that an increase in phenanthroline basicity weakens Cu-O bonds in this type of compound. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(99)00034-1

文献信息

• Distortion of the coordination polyhedron in mononuclear copper(II) complexes. Optical absorption and electron spin resonance studies on some five-coordinate copper(II) complexes
  作者：Raghuvir Singh、L.V.K.N.Ramlingeswara Rao

  DOI：10.1016/s0277-5387(00)88042-0

  日期：1984.1

  spectral methods. Electron spin resonance spectral data show the square-pyramidal five-coordinated arrangement around copper(II) in these complexes. Parameters such as g ‖ , g ⊥ , A ‖ , A ⊥ , 〈 g 〉 and 〈 A 〉 calculated from electron spin resonance data in solid and solution state at room temperature as well as frozen solution indicate the presence of the unpaired electron in the d x 2 − y 2 or d z 2 orbital

  摘要报道了一系列十种[Cu（A）（B）n]（X）形式的混合配体铜（II）配合物的制备和光谱性质，其中A为乙酰丙酮根阴离子，B表示单-或-二齿配体，例如吗啉，哌啶，异烟酸酰肼，2,2'-联吡啶，1,10-菲咯啉和X分别为NO-3或ClO-4阴离子，n = 1或2。阴离子和配体的配位已经通过红外和电子光谱方法得到了证明。电子自旋共振谱数据显示这些络合物中铜（II）周围的四棱锥金字塔形的五配位排列。参数，例如g‖，g⊥，A‖，A⊥，根据在室温下固态和溶液状态下的电子自旋共振数据以及冷冻溶液计算出的＆lt; g＆gt;和＆lt; A＆gt;表明在dx 2 -y 2或dz 2轨道中存在不成对的电子。这些结果与电子和光声光谱研究非常吻合。
• Synthesis and Structural Studies of Some Ternary Copper(II) Complexes Containing β‐Diketones with 1,10‐Phenanthroline and 2,2′‐Bipyridyl and X‐Ray Structure of [Cu(C₆H₅COCHCOCH₃)(bipy)Cl]
  作者：O. A. Odunola、M. A. Oladipo、J. A.O. Woods、A. C. Gelebe

  DOI：10.1081/sim-120021651

  日期：2003.1.6

  Some mixed-ligand copper(H) complexes of benzoylacetone (Ph-acacH) and acetylacetone (acac-H) with 2,2'-bipyridyl (bipy) and 1,10-phenanthroline (phen), [Cu(Ph-acac)(N-N)(X)]; X = Cl, NO3, N-N = bipy or phen and [Cu(acac)(N-N)NO3], have been synthesised and characterised using elemental analyses, magnetic susceptibility measurements, infrared and electronic spectra studies. The electronic spectra and magnetic susceptibility studies are consistent with the adoption of a square-pyramidal geometry for the complexes. [Cu(Ph-acac)(bipy)Cl] crystallizes from methanol solution under ambient temperature in the monoclinic system with the space group P2(1/c), a = 19.7700(12), b = 13.0381(12), c = 17.0357(7) Angstrom, V = 4015.1(5) Angstrom(3), alpha = 90degrees, beta = 113.8870(10)degrees, gamma = 90degrees in a highly distorted square-pyramidal geometry. The square pyramid consists of one unit each of benzoylacetone and 2,2'-bipyridyl in a bidentate form as the basal unit with a chloride ion occupying the apical position.