bis(n-butylxanthogenate)triphenylphosphinecadmium triphenylphosphine solvate | 1372770-58-5

• 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: bis(n-butylxanthogenate)triphenylphosphinecadmium triphenylphosphine solvate
• CAS: 1372770-58-5
• 化学式: C₁₈H₁₅P*C₂₈H₃₃CdO₂PS₄
• 分子量: 935.507
• InChiKey: PPRNPDWNLUEALA-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  10.16
• 重原子数：
  55.0
• 可旋转键数：
  13.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  bis(n-butylxanthogenate)triphenylphosphinecadmium 、 三苯基膦 以 N,N-二甲基甲酰胺 为溶剂， 生成 bis(n-butylxanthogenate)triphenylphosphinecadmium triphenylphosphine solvate
  参考文献：
  名称：

  CdS formation upon decomposition of Cd(n-BuOCS2)2 in EtOH and DMF and the crystal structure of Cd(Ph3P)(n-BuOCS2)2 · Ph3P

  摘要：

  The thermal decomposition of the chelate Cd(n-BuOCS2)(2) (I) in EtOH and DMF, either in the absence or in the presence of Ph3P, yields finely disperse CdS particles. Mixed-ligand complex Cd(Ph3P)(n-BuOCS2)(2) (II) has been synthesized. Cd(Ph3P)(n-BuOCS2)(2) center dot Ph3P (III) single crystals have been grown. By X-ray crystallography, the crystal structure of III is built of [Cd(Ph3P)(n-BuOCS2)(2)] mononuclear complex molecules and uncoordinated Ph3P molecules, which reside inside channels formed by complex II molecules. The coordination polyhedron around a Cd atom is a tetragonal pyramid where the base is formed by the four S atoms of the two bidentate chelating ligands n-BuOCS (2) (-) and the P atom of the Ph3P ligand is at the axial vertex. In the structure of III, there are supramolecular assemblies of two complex II molecules.

  DOI：

  10.1134/s0036023612030163