[CuI(trans-4'-tert-butyl-4-stilbazole)]n | 855756-38-6

• 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: [CuI(trans-4'-tert-butyl-4-stilbazole)]n
• CAS: 855756-38-6
• 化学式: C₁₇H₁₉N*Cu*I
• 分子量: 427.795
• InChiKey: JLYQBRYQXMLSIA-SFKRKKMESA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.55
• 重原子数：
  20.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  12.89
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  Cu4(pyridine)4I4 、 (E)-4-(4-(tert-butyl)styryl)pyridine 以 二氯甲烷 为溶剂， 以93%的产率得到[CuI(trans-4'-tert-butyl-4-stilbazole)]n
  参考文献：
  名称：

  New Structural Motifs, Unusual Quenching of the Emission, and Second Harmonic Generation of Copper(I) Iodide Polymeric or Oligomeric Adducts with Para-Substituted Pyridines or trans-Stilbazoles

  摘要：

  The structural, emissive, and nonlinear optical properties of new CuI adducts with para-substituted trans-stilbazolic and pyridinic ligands are reported. Single-crystal X-ray diffraction results indicate that the para-substituent on the organic ligand greatly influences the structural motif by its steric (tert-butyl), electronic/steric (dimethylamino), or bridging-donor (cyano) properties so that two absolutely new structural motifs, polymeric and oligomeric, are found when trans-stilbazole and pyridine carry a dimethylamino group in the para-position. In addition, a surprising photoemission behavior is observed, being the solid-state emission of [CuI(trans-4-stilbazole)](n), [CuI(trans-4'(dimethylamino)-4-stilbazole)](n), and [CuI(4'-tert-butyl-4-stilbazole)], totally quenched. In the case of the noncentrosymmetric CuI adduct of trans-4'-(dimethylamino)stilbazole a discrete second harmonic generation (SHG) occurs.

  DOI：

  10.1021/ic050143s