[trimethylammonium]CdI3 [(CH3)3NH]CdI3, orthorhombic | 1380398-44-6

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: [trimethylammonium]CdI3 [(CH3)3NH]CdI3, orthorhombic
• 英文别名: [trimethylammonium]CdI3
• CAS: 1380398-44-6
• 化学式: C₃H₁₀N*CdI₃
• 分子量: 553.243
• InChiKey: UKBAWFPJSZAURU-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -10.23
• 重原子数：
  8.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  4.44
• 氢给体数：
  1.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  三甲胺氢碘酸盐 、 cadmium(II) iodide 以 丙酮 为溶剂， 以92%的产率得到[trimethylammonium]CdI3 [(CH3)3NH]CdI3, orthorhombic
  参考文献：
  名称：

  Synthesis and structure of cadmium complexes [Me3BuN] 2 + [CdI4]2−, [Ph3(PhCH2)P] 2 + [Cd2I6]2−, [Me3EtN] n + [CdI3] n − , and [Me3NH] n + [CdI3] n −

  摘要：

  Complexes with cadmium-containing anions [Me3BuN] (2) (+) [CdI4](2-) (I), [Ph-3(PhCH2)P] (2) (+) [Cd2I6](2-)(II), [Me3EtN] (n) (+) [CdI3] (n) (-) (III), and [Me3NH] (n) (+) [CdI3] (n) (-) (IV) were synthesized by reacting ammonium and phosphonium iodides with cadmium iodide. In the cations, N and P atoms have a distorted tetrahedral coordination, as Cd atom in the mononuclear [CdI4](2-) anion of complex I, too. A centrosymmetric binuclear [Cd2I6](2-) anion contains two terminal (t) CdI2 moieties linked to each other by two bridging (br) iodine atoms (Cd-I-br is 2.8547(3) ; Cd-I-t are 2.7240(3) and 2.7241(3) ). Anions of complexes III and IV are polymeric; CdI2 structural units (Cd-I-t are 2.711(3) , in III and Cd-I-t are 2.7366(6) , in IV) are associated via iodine atoms (Cd-I-br are 2.853(3) in III and Cd-I-br are 2.8472(6) , 2,8421(6) in IV) to form polymer chains.

  DOI：

  10.1134/s0036023611090257