[trimethylethylammonium]CdI3 | 1380398-43-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [trimethylethylammonium]CdI3
• CAS: 1380398-43-5
• 化学式: C₅H₁₄N*CdI₃
• 分子量: 581.296
• InChiKey: DCZAOZNVYMZIFQ-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -8.28
• 重原子数：
  10.0
• 可旋转键数：
  1.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  乙基三甲基碘化铵 、 cadmium(II) iodide 以 丙酮 为溶剂， 以90%的产率得到[trimethylethylammonium]CdI3
  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