4-([4-(2-(4-[5-(4-tert-butyl-phenyl)-[1,3,4]oxadiazol-2-yl]-phenyl)-vinyl)-phenyl]-phenyl-amino)-benzoic acid | 342381-09-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-([4-(2-(4-[5-(4-tert-butyl-phenyl)-[1,3,4]oxadiazol-2-yl]-phenyl)-vinyl)-phenyl]-phenyl-amino)-benzoic acid
• CAS: 342381-09-3
• 化学式: C₃₉H₃₃N₃O₃
• 分子量: 591.709
• InChiKey: BVQRMUXZVISVHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.04
• 重原子数：
  45.0
• 可旋转键数：
  8.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  79.46
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  4-([4-(2-(4-[5-(4-tert-butyl-phenyl)-[1,3,4]oxadiazol-2-yl]-phenyl)-vinyl)-phenyl]-phenyl-amino)-benzoic acid 、 erbium(III) acetate 以 氯苯 为溶剂， 以99%的产率得到erbium tri-4-([4-(2-(4-[5-(4-tert-butyl-phenyl)-[1,3,4]oxadiazol-2-yl]-phenyl)-vinyl)-phenyl]-phenyl-amino)-benzoate
  参考文献：
  名称：

  Linear and Nonlinear Optical Properties of an Erbium Two-Photon Dye Salt

  摘要：

  The optical properties of erbium tri-4-{[4-(2-{4-[5-(4-tert-butyl-phenyl)-[1,3,4]oxadiazol-2-yl]-phenyl}-vinyl)-phenyl] -phenyl-amino}-benzoate, viz., an erbium two-photon dye salt, were investigated in THF solutions. Using the corresponding two-photon dye monomer acid as a reference material, we observed that the photoluminescence of the erbium two-photon dye salt was quenched significantly while nonlinear absorption for infrared nanosecond excitation was enhanced compared to the monomeric form. On the other hand, femtosecond Z-scan measurements suggest the same two-photon absorption coefficient for the dye in both forms. A possible explanation is that the presence of erbium enhances the intersystem crossing rate and that the nonlinear absorption effect must be due to two-photon absorption and subsequent triplet-triplet excited-state absorption for nanosecond pulsed excitation. Our analysis of the nonlinear absorption (power limiting) data suggests that the intersystem crossing rate is 3 orders of magnitude larger for the erbium two-photon dye salt compared with that in the monomer form.

  DOI：

  10.1021/jp004522c