bis[μ-(O,O'-di-i-amyldithiophosphato)-S,S'][bis(O,O'-di-i-amyldithiophosphato-S,S')zinc(II)] | 349481-73-8

• 分子结构分类: 有机化合物 - 有机磷化合物
• 英文名称: bis[μ-(O,O'-di-i-amyldithiophosphato)-S,S'][bis(O,O'-di-i-amyldithiophosphato-S,S')zinc(II)]
• 英文别名: bis[(μ2-O,O'-di-isopentyldithiophosphato-S,S')(O,O'-di-isopentyldithiophosphato)dizinc(II)]
• CAS: 349481-73-8
• 化学式: C₄₀H₈₈O₈P₄S₈Zn₂
• 分子量: 1208.34
• InChiKey: TVNSQUXKLUUVRY-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  15.53
• 重原子数：
  62.0
• 可旋转键数：
  32.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  73.84
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为产物：
  描述：

  O,O'-二异戊基二硫代磷酸酯钠盐 、 zinc(II) chloride 以 水 为溶剂， 生成 bis[μ-(O,O'-di-i-amyldithiophosphato)-S,S'][bis(O,O'-di-i-amyldithiophosphato-S,S')zinc(II)]
  参考文献：
  名称：

  Polycrystalline and surface O,O′-dialkyldithiophosphate zinc(II) complexes: preparation, 31P CP/MAS NMR and single-crystal X-ray diffraction studies

  摘要：

  Dithiophosphate zinc(II) complexes with eight different O,O'-dialkyldithiophosphate ligands have been prepared in solid/liquid states and as surface complexes on a synthetic sphalerite, and studied by means of P-31 NMR spectroscopy. All P-31 resonances, corresponding to dithiophosphate ligands with different structural functions (i.e. terminal chelating or bridging between two metal atoms in bi- and tetranuclear complexes), have been assigned on the basis of comparative analyses of chemical shift data for solid complexes, their melts and chloroform solutions at various concentrations. The bridging coordination of O,O'-dialkyldithiophosphate ligands by the two neighbouring zinc(II) atoms was established in the case of zinc(II) complexes formed at the surface of the synthetic sphalerite. In addition, novel molecular and crystal structures of the binuclear O,O'-di-cyclo-hexyldithiophosphate zinc(II) complex have been resolved by single-crystal X-ray diffraction data analysis, and useful correlations with P-31 NMR data for this complex were obtained. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(01)00293-6