CdI2(phenethylamine)4 | 960526-32-3

• 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: CdI2(phenethylamine)4
• 英文别名: cadmium(2+);2-phenylethanamine;diiodide
• CAS: 960526-32-3
• 化学式: C₃₂H₄₄CdI₂N₄
• 分子量: 850.947
• InChiKey: VOOBLFOBUFIDNF-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.24
• 重原子数：
  39
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  104
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-苯乙胺 、 cadmium(II) iodide 以 甲醇 为溶剂， 以35.8%的产率得到CdI2(phenethylamine)4
  参考文献：
  名称：

  Synthesis, Structures, and Optical Properties of Cadmium Iodide/Phenethylamine Hybrid Materials with Controlled Structures and Emissions

  摘要：

  new type of organic-inorganic hybrid materials based on cadmium iodide (Cdl(2)) and phenethylamine (PEA) has been synthesized and characterized. The reaction of Cdl(2) with PEA in a 1:2 molar ratio yields a four-coordinate hybrid material Cdl(2)(PEA)(2) (1) with extended 1D (Cdl(2))(n) chains, while the reaction of Cdl(2) with PEA in a 1:4 molar ratio produces a six-coordinate hybrid material Cdl(2)(PEA)(4) (2) with a discrete linear structure of Cdl(2) moiety. By introducing a trace amount of Na2S to the reaction for Cdl(2)(PEA)(2), we obtained a new compound [Cdl(2)(PEA)(2)]-(CdS)(0.038) (3) with uniformly doped US nanoparticles. Steady and transient photoluminescence studies reveal that compounds 1 and 2 exhibit bright blue (465 nm) and green (512 nm) fluorescent emissions in solid state at room temperature, respectively, while compound 3 gives a broad and complex emission ranging from 450 to 700 nm. Theoretical studies of electronic structures were carried out using density functional theory in order to gain a good understanding of the luminescent behaviors of these hybrid materials.

  DOI：

  10.1021/ic7007304