copper(II) O,O'-dicyclohexyl dithiophosphate | 778624-03-6

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: copper(II) O,O'-dicyclohexyl dithiophosphate
• CAS: 778624-03-6
• 化学式: C₂₄H₄₄CuO₄P₂S₄
• 分子量: 649.822
• InChiKey: CTKKFWLRAZKEQC-VNYHKPROSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  8.91
• 重原子数：
  35.0
• 可旋转键数：
  8.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  36.92
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  copper(II) choride dihydrate 、 bis(di-cyclo-hexyldithiophosphato)platinum(II) 以 neat (no solvent, solid phase) 为溶剂， 生成 copper(II) O,O'-dicyclohexyl dithiophosphate
  参考文献：
  名称：

  Synthesis, structural and multinuclear natural abundance (13C, 31P, 195Pt) CP/MAS NMR studies of crystalline O,O′-dialkyldithiophosphate platinum(II) complexes

  摘要：

  Platinum(II) O,O'-dicyclohexyl dithiophosphate [Pt{S2P(O-cyclo-C6H11)(2)}(2)] (I) and platinum(II) O,O'-diisopropyl dithiophosphate [Pt{S2P(O-iso-C3H7)(2)}(2)] (II) complexes were obtained and studied by solidstate C-13, P-31, and Pt-195 CP/MAS NMR spectroscopy. The dithiophosphate (Dtph) ligands in molecular structure I were found to be coordinated by platinum in S,S'-bidentate fashion to form the planar chromophore [PtS4] (single-crystal X-ray diffraction data). For complex II, a new alpha-form (alpha-II) was obtained and identified by P-31 MAS NMR spectroscopy. The P-31 chemical shift anisotropy delta(aniso) and the asymmetry parameter eta of the P-31 chemical shift tensor were calculated from the whole MAS spectra.

  DOI：

  10.1134/s1070328408080058