2-(6-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-3,5-dihexyldithieno[3,2-b:2',3'-d]thien-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline | 1415401-50-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: 2-(6-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-3,5-dihexyldithieno[3,2-b:2',3'-d]thien-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
• CAS: 1415401-50-1
• 化学式: C₄₆H₄₀N₈S₃
• 分子量: 801.075
• InChiKey: PUPLGFQPKWBRJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.7
• 重原子数：
  57.0
• 可旋转键数：
  12.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  108.92
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  ammonium hexafluorophosphate 、 {Ru(2,2'-bipyridyl)Cl3}n 、 2-(6-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-3,5-dihexyldithieno[3,2-b:2',3'-d]thien-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以65%的产率得到
  参考文献：
  名称：

  Synthesis and study of novel supramolecular nanocomposites containing aryl-imidazo-phenanthroline-based metallo-polymers (H-donors) and surface-modified ZnO nanoparticles (H-acceptors)

  摘要：

  Four novel metallo-polymers (P1-P4) containing aryl-imidazo-phenanthrolines (AIP) ligands (incorporated with phenyl and fused-thiophene cores) were synthesized and characterized. Interestingly, P1-P4 exhibited electrochromism during the oxidation processes of cyclic voltammogram studies. In addition, P1-P4 were blended with surface-modified pyridyl-ZnO nanoparticles (ZnOpy as proton acceptors) to form nanocomposites, where P3-P4 were functionalized with carboxylic acid pendants (as proton donors) on the polymer backbones to study for the H-bonded effects on surface-modified ZnOpy nanoparticles. In order to investigate the nanocomposites containing metallo-polymers P1-P4 and surface-modified ZnOpy nanoparticles, nanocomposites P1-P4/ZnOpy were characterized by UV-visible (UV) absorption spectra, Fourier transform infrared (FT-IR), photoluminescence (PL) spectra, time-resolved photoluminescence decays, X-ray diffraction (XRD) measurements, and transmission electron microscopy (TEM) analyses. In contrast to nanocomposites P1/ZnOpy and P2/ZnOpy, higher crystallinities with a distinct layered-structure of H-bonded nanocomposites P3/ZnOpy and P4/ZnOpy in XRD measurements were induced by the introduction of surface-modified ZnOpy nanoparticles to metallopolymers P3 and P4, correspondingly. Furthermore, due to the supramolecular interactions of surface-modified ZnOpy nanoparticles with metallo-polymers P3-P4, TEM images verified that ZnOpy nanoparticles were more homogeneously distributed in nanocomposites P3-P4/ZnOpy (with H-bonds) than those in P1-P2/ZnOpy (without H-bonds), respectively. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.10.031
• 作为产物：
  描述：

  1,10-邻二氮杂菲-5,6-二酮 、 3,5-dihexyldithieno[3,2-b:2',3'-d]thiophene-2,6-dialdehyde 在 ammonium acetate 、 溶剂黄146 作用下， 反应 2.0h， 以65%的产率得到2-(6-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-3,5-dihexyldithieno[3,2-b:2',3'-d]thien-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
  参考文献：
  名称：

  Synthesis and study of novel supramolecular nanocomposites containing aryl-imidazo-phenanthroline-based metallo-polymers (H-donors) and surface-modified ZnO nanoparticles (H-acceptors)

  摘要：

  Four novel metallo-polymers (P1-P4) containing aryl-imidazo-phenanthrolines (AIP) ligands (incorporated with phenyl and fused-thiophene cores) were synthesized and characterized. Interestingly, P1-P4 exhibited electrochromism during the oxidation processes of cyclic voltammogram studies. In addition, P1-P4 were blended with surface-modified pyridyl-ZnO nanoparticles (ZnOpy as proton acceptors) to form nanocomposites, where P3-P4 were functionalized with carboxylic acid pendants (as proton donors) on the polymer backbones to study for the H-bonded effects on surface-modified ZnOpy nanoparticles. In order to investigate the nanocomposites containing metallo-polymers P1-P4 and surface-modified ZnOpy nanoparticles, nanocomposites P1-P4/ZnOpy were characterized by UV-visible (UV) absorption spectra, Fourier transform infrared (FT-IR), photoluminescence (PL) spectra, time-resolved photoluminescence decays, X-ray diffraction (XRD) measurements, and transmission electron microscopy (TEM) analyses. In contrast to nanocomposites P1/ZnOpy and P2/ZnOpy, higher crystallinities with a distinct layered-structure of H-bonded nanocomposites P3/ZnOpy and P4/ZnOpy in XRD measurements were induced by the introduction of surface-modified ZnOpy nanoparticles to metallopolymers P3 and P4, correspondingly. Furthermore, due to the supramolecular interactions of surface-modified ZnOpy nanoparticles with metallo-polymers P3-P4, TEM images verified that ZnOpy nanoparticles were more homogeneously distributed in nanocomposites P3-P4/ZnOpy (with H-bonds) than those in P1-P2/ZnOpy (without H-bonds), respectively. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.10.031