[Co(neoc)(5-NO2-salo)2] | 949085-78-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: [Co(neoc)(5-NO2-salo)2]
• 英文别名: [Co(2,9-dimethyl-1,10-phenanthroline)(5-NO2-salicylaldehyde(-H))2]
• CAS: 949085-78-3
• 化学式: C₂₈H₂₀CoN₄O₈
• 分子量: 599.482
• InChiKey: IGBQZOYPKWUHSF-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  [CoBr2(neoc)2] 、 5-硝基水杨醛 在 CH₃ONa 作用下， 以 甲醇 为溶剂， 以72%的产率得到[Co(neoc)(5-NO2-salo)2]
  参考文献：
  名称：

  Substitution effect on new Co(II) addition compounds with salicylaldehydes and the nitrogenous bases phen or neoc: Crystal and molecular structures of [CoII(5-NO2-salicylaldehyde)2(phen)], [CoII(5-CH3-salicylaldehyde)2(neoc)] and [CoII(5-Cl-salicylaldehyde)2(neoc)]

  摘要：

  The cobalt(II) addition compounds [Co(X-salo)(2)(Y)], where X-salo is the anion of substituted salicylaldehydes (X = 3-OCH3, 5-CH3, 5-Cl. 5-NO2 and Y = the neutral 1, 10 phenanthroline or neocuproine), were synthesized and characterized by physicochemical and spectral (IR. UV-Vis) data. Theoretical calculations (DFT, ZINDO, TD DFT) with GAUSSIAN 03 for the prediction of the electronic spectrum for the compounds. gave good correlation with the experimental one in the solid state and in solution. The cyclic voltammetry study in CH3CN gave all the expected waves for the redox processes of the metal Co(II) and the ligands phen or neoc and salicylaldehydes. The X-ray diffraction study of three compounds [Co(5-NO2-salo)(2)(phen)], [Co(5-CH3-salo)(2)(neoc)] and [Co(5-Cl-salo)(2)(neoc)] verified their analogous proposed octahedral arrangement of the ligands around the cobalt(II) atom. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.04.039