| 256367-18-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• CAS: 256367-18-7
• 化学式: C₄H₄N₂O₆Pt
• 分子量: 371.166
• InChiKey: DNWLQCLHBHSQPM-UOJCIPBCSA-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：

  potassium tetrachloroplatinate(II) 、 glyoxylic acid aldoxime 以 水 为溶剂， 以60%的产率得到
  参考文献：
  名称：

  Synthesis and vibrational study of platinum(II) and palladium(II) complexes of glyoxilic acid oxime

  摘要：

  New platinum(II) and palladium(II) complexes of glyoxilic acid oxime (gao) have been prepared and characterised by infrared (4000-150 cm(-1)) and Raman (4000-200 cm(-1)) spectra. The gao acts as bidentate ligand bonding through the oxime nitrogen and carboxyl oxygen atoms to form neutral bis-chelate square-planar complexes. The lowest energy conformer of the gao ligand (ectt) was selected among 16 theoretically possible conformers on the basis of ab initio calculations at HF/3-21G*, HF/6-31G* and HF/6-311** levels of the theory from which structural parameters and conformational stabilities have been obtained. A complete vibrational assignment of the gao was performed for the lowest energy ectt conformer on the basis of ab initio optimised parameters and normal coordinate analysis calculations (PED). NCA calculations of the complexes studied were also performed. (C) 1999 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s1386-1425(99)00104-3