4-methyl-2-(phenanthren-10-yl)quinoline | 863487-49-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 4-methyl-2-(phenanthren-10-yl)quinoline
• 英文别名: 4-Methyl-2-phenanthren-9-ylquinoline；4-methyl-2-phenanthren-9-ylquinoline
• CAS: 863487-49-4
• 化学式: C₂₄H₁₇N
• 分子量: 319.406
• InChiKey: TWEJSYYZGDRQOM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  25
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-methyl-2-(phenanthren-10-yl)quinoline 、 三氯化铱 、 乙酰丙酮 在 sodium carbonate 作用下， 以 乙二醇甲醚 、 水 为溶剂， 以84%的产率得到Ir(4-methyl-2-(phenanthren-10-yl)quinoline(1-))2(acetylacetonate)
  参考文献：
  名称：

  Efficient Red-Emitting Cyclometalated Iridium(III) Complexes Containing Lepidine-Based Ligands

  摘要：

  Heteroleptic cyclometalated iridium(III) complexes featuring lepidine-based ligands and acetyl acetone auxiliary ligand are synthesized. Multiple lowest energy absorption bands are observed for these complexes indicating substantial mixing of the singlet and triplet levels. All the complexes emit orange or red color in dichloromethane solutions with lifetimes in the range 1.6-3.7 mu s. The emission in the complexes probably originates from the (MLCT)-M-3 state. The complexes are applied as emitting guests in LED devices of the structure ITO/HTL(BPAPF or NPB)/6% Ir in CBP/BCP/Alq(3)LiF/Al. They exhibit excellent device characteristics with an orange to red EL profile.

  DOI：

  10.1021/ic050385s

文献信息

• [EN] IRIDIUM BASED COMPLEX FOR WATER SPLITTING<br/>[FR] COMPLEXE À BASE D'IRIDIUM POUR LA DISSOCIATION DE L'EAU
  申请人：UNIV QUEENSLAND

  公开号：WO2012122605A1

  公开（公告）日：2012-09-20

  In a general form, there is provided a cyclometalated iridium complex, which in one application can be used as a catalyst for water splitting. In one form, the cyclometalated iridium complex includes bandgap lowering ligands, for example aryl quinoline. In another form, the cyclometalated iridium complex includes bandgap widening ligands, for example aryl triazole. In a particular example, one or more additional linking groups are included to improve solubility of the complex. In another particular example, one or more additional linking groups are included to improve attachment of the complex to a semiconductor or an electrode. According to a specific example, there is a cyclometalated iridium complex having the structure wherein, Ar is an aryl group, or a fused or heterocyclic arene or ring.
• Efficient Red-Emitting Cyclometalated Iridium(III) Complexes Containing Lepidine-Based Ligands
  作者：K. R. Justin Thomas、Marappan Velusamy、Jiann T. Lin、Chin-Hsiung Chien、Yu-Tai Tao、Yuh S. Wen、Ya-Hui Hu、Pi-Tai Chou

  DOI：10.1021/ic050385s

  日期：2005.8.1

  Heteroleptic cyclometalated iridium(III) complexes featuring lepidine-based ligands and acetyl acetone auxiliary ligand are synthesized. Multiple lowest energy absorption bands are observed for these complexes indicating substantial mixing of the singlet and triplet levels. All the complexes emit orange or red color in dichloromethane solutions with lifetimes in the range 1.6-3.7 mu s. The emission in the complexes probably originates from the (MLCT)-M-3 state. The complexes are applied as emitting guests in LED devices of the structure ITO/HTL(BPAPF or NPB)/6% Ir in CBP/BCP/Alq(3)LiF/Al. They exhibit excellent device characteristics with an orange to red EL profile.