cadmium n-butylxanthogenate | 16839-22-8

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: cadmium n-butylxanthogenate
• 英文别名: Butoxymethanedithioate;cadmium(2+)；butoxymethanedithioate;cadmium(2+)
• CAS: 16839-22-8
• 化学式: C₁₀H₁₈CdO₂S₄
• 分子量: 410.926
• InChiKey: HDDSIHYACNVTFG-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  3.27
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  84.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  cadmium n-butylxanthogenate 在 triphenylphosphine 作用下， 以 乙醇 为溶剂， 生成 cadmium(II) sulphide
  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
• 作为产物：
  描述：

  丁基黄原酸钾 、 cadmium(II) chloride 以 水 为溶剂， 生成 cadmium n-butylxanthogenate
  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