copper(II) salt of 2-cyano-2-(hydroxyimino)acetic acid | 861394-30-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: copper(II) salt of 2-cyano-2-(hydroxyimino)acetic acid
• CAS: 861394-30-1
• 化学式: C₆H₂CuN₄O₆
• 分子量: 289.651
• InChiKey: GZQPWIHIEJUIPW-ITOWEXLMSA-L

反应信息

• 作为产物：
  描述：

  copper(II) nitrate trihydrate 、 sodium salt of 2-cyano-2-(hydroxyimino)acetic acid - water 1/0.35 在 aq. HNO₃ 作用下， 以 水 为溶剂， 生成 copper(II) salt of 2-cyano-2-(hydroxyimino)acetic acid
  参考文献：
  名称：

  Interaction of Na(I), Ni(II) and Cu(II) with 2-cyano-2-(hydroxyimino)acetic acid: Spectroscopic and theoretical studies

  摘要：

  Sodium(l) salt as well as nickel(II) and copper(II), complexes of 2-cyano-2-(hydroxyimino) acetic acid (1a) have been prepared and characterized by infrared, Raman and EPR spectra. Molecular structures of the compounds in the solid state are proposed. The bidentate la ligand chelates the copper and nickel ions through the oxime nitrogen and the carboxyl oxygen atoms to form a trans bis-complexes. However, two sodium ions are bonded to the deprotonated oximic as well as carboxylic groups. Equilibrium geometries, atomic charges, harmonic vibrational frequencies with potential energy distribution (PED), infrared and Raman intensities are calculated for all compounds studied here by using the hybrid functional of DFT (B3LYP) with 6-311++G(d,p) and LanL2DZ basis sets, for sodium and transition metal ions complexes, respectively. The computed properties are compared to the experimental values. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2005.04.007