[Cd(4,4'-Bipy)((i-C4H9)2PS2)2] | 364326-31-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [Cd(4,4'-Bipy)((i-C4H9)2PS2)2]
• 英文别名: bis(2-methylpropyl)-sulfanylidene-sulfido-λ5-phosphane;cadmium(2+);4-pyridin-4-ylpyridine
• CAS: 364326-31-8
• 化学式: C₂₆H₄₄CdN₂P₂S₄
• 分子量: 687.27
• InChiKey: YEFIYYKFSRMCFE-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  8.62
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  92
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [Cd(4,4'-Bipy)((i-C4H9)2PS2)2] 生成 cadmium sulfide
  参考文献：
  名称：

  摘要：

  Volatile mixed-ligand compounds of Cd(i-Bu2PS2)(2) with Phen, 2,2'-Bipy, and 4,4'-Bipy were synthesized. Their single crystals were grown. X-ray diffraction data (a CAD4 diffractometer, MoKalpha radiation, 2140 F-hkl, R = 0.0251) were used to determine the structure of [Cd(4,4'-Bipy)(i-Bu2PS2)(2)]. The crystals are monoclinic: a = 14.678(3) Angstrom, b = 11.866(2) Angstrom, c = 19.655(4) Angstrom, beta = 102.17(3)degrees, V = 3346(1) Angstrom (3), Z = 4, rho (calcd) = 1.364 g/cm(3), space group C2/c. The structure is built from linear polymeric chains arranged along the [010] direction. The coordination polyhedron of the Cd atom is a distorted octahedron (4S + 2N). The thermal properties of these compounds, studied both in air and in vacuo, allow one to use them for preparing CdS films by chemical precipitation from the gas phase.

  DOI：

  10.1023/a:1011329313925
• 作为产物：
  描述：

  4,4'-联吡啶 、 cadmium(II) diisobutyldithiophosphinate 以 二氯甲烷 为溶剂， 以96%的产率得到[Cd(4,4'-Bipy)((i-C4H9)2PS2)2]
  参考文献：
  名称：

  摘要：

  Volatile mixed-ligand compounds of Cd(i-Bu2PS2)(2) with Phen, 2,2'-Bipy, and 4,4'-Bipy were synthesized. Their single crystals were grown. X-ray diffraction data (a CAD4 diffractometer, MoKalpha radiation, 2140 F-hkl, R = 0.0251) were used to determine the structure of [Cd(4,4'-Bipy)(i-Bu2PS2)(2)]. The crystals are monoclinic: a = 14.678(3) Angstrom, b = 11.866(2) Angstrom, c = 19.655(4) Angstrom, beta = 102.17(3)degrees, V = 3346(1) Angstrom (3), Z = 4, rho (calcd) = 1.364 g/cm(3), space group C2/c. The structure is built from linear polymeric chains arranged along the [010] direction. The coordination polyhedron of the Cd atom is a distorted octahedron (4S + 2N). The thermal properties of these compounds, studied both in air and in vacuo, allow one to use them for preparing CdS films by chemical precipitation from the gas phase.

  DOI：

  10.1023/a:1011329313925