(O,O'-di-n-propyldithiophosphato-S,S')tetraphenylantymony | 943250-90-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (O,O'-di-n-propyldithiophosphato-S,S')tetraphenylantymony
• CAS: 943250-90-6
• 化学式: C₃₀H₃₄O₂PS₂Sb
• 分子量: 643.455
• InChiKey: NANXIHYCIYRVOO-UHFFFAOYSA-M

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：

  tetraphenylchloroantimony(V) 、 二硫代磷酸 O,O-二丙基酯钠盐 以 水 为溶剂， 以71%的产率得到(O,O'-di-n-propyldithiophosphato-S,S')tetraphenylantymony
  参考文献：
  名称：

  Preparation and structural organisation of heteroleptic tetraphenylantimony(V) complexes comprising unidentately and bidentately coordinated O,O′-dialkyldithiophosphate groups: Multinuclear (13C,31P) CP/MAS NMR and single-crystal X-ray diffraction studies

  摘要：

  O,O'-dipropyldithiophosphate and O,O'-di-iso-butyldithiophosphate (Dtph) tetraphenylantimony(V) complexes of the general formula [Sb(C6H5)(4){S2P(OR)(2)}] (R=C3H7, i-C4H9) were prepared and studied by means of C-13, P-31 CP/MAS NMR spectroscopy and single-crystal X-ray diffraction. Distorted octahedral and trigonal bipyramidal molecular structures have been established for prepared complexes. These unexpected structural distinctions between chemically related compounds are defined by the principally different coordination modes of O,O'-dipropyldithiophosphate and O,O'-di-iso-butyldithiophosphate ligands in their molecular structures (i.e., S,S'-bidentate chelating and S-unidentately coordinated, respectively). To characterise quantitatively phosphorus sites in both species of dithiophosphate ligands, P-31 chemical shift anisotropy parameters (delta(aniso) and eta) were calculated from spinning sideband manifolds in MAS NMR spectra. The P-31 chemical shift tensors for the bidentate chelating and unidentately coordinated dithiophosphate ligands display a profoundly rhombic and nearly axially symmetric characters, respectively. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.02.044