irridium(III) bis[2-(3,5-trifluoromethylphenyl)pyridinato-N,C2'] picolinate | 665005-15-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: irridium(III) bis[2-(3,5-trifluoromethylphenyl)pyridinato-N,C2'] picolinate
• 英文别名: [Ir(fmppy)2(pic)]；2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;iridium(3+);pyridine-2-carboxylate
• CAS: 665005-15-2
• 化学式: C₃₂H₁₆F₁₂IrN₃O₂
• 分子量: 894.699
• InChiKey: BCFYPILFZKGRLA-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  8.62
• 重原子数：
  50
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  78.8
• 氢给体数：
  0
• 氢受体数：
  19

反应信息

• 作为产物：
  描述：

  2-吡啶甲酸 、 2-(3,5-bis(trifluoromethyl)phenyl)pyridine 、 氯化铱(III) 水合物 以 乙二醇乙醚 、 水 、 1,2-二氯乙烷 为溶剂， 以68%的产率得到irridium(III) bis[2-(3,5-trifluoromethylphenyl)pyridinato-N,C2'] picolinate
  参考文献：
  名称：

  Synthesis and characterization of phosphorescent iridium complexes containing trifluoromethyl-substituted phenyl pyridine based ligands

  摘要：

  Several iridium complexes containing trifluoromethyl-substituted phenyl pyridine based ligands have been synthesized and characterized to try to investigate the effect of trifluoromethyl group and its position on physical properties. The complexes have the general structure of (C-N)(2)Ir(LX), where the C-N are 2-phenylpyridine (ppy), 2-(3,5-bis-trifluoromethylphenyl)pyridine (fmppy), 2-(3,5-bis-trifluoromethylphenyl)-4-methylpyridine (fmpmpy), 2-(3,5-bis-trifluoromethylphenyl)-5-trifluoromethylpyridine (tfmppy) and the LX are 2-picolinic acid (pic) and acetylacetonate (acac). The (tfmppy)(2)Ir(pic) was characterized using X-ray crystallography. The absorption, emission, and thermostability of the complexes were systematically investigated. Introduction of CF3 substituents into 2-phenylpyridine in (ppy)(2)Ir(pic) lead to some decrease in the sublimation temperature, which is more suitable to devices fabrication. The experimental results revealed that the emissive colors of these complexes could be finely tuned by suitable incorporation of trifluoromethyl substituents on the 2-phenylpyridine ligand, obtaining bright green-blue emission lambda(max) values from 471 to 489 nm in CH2Cl2 solution at room temperature, with high solution quantum efficiencies ranging from 0.37 to 1.89 relative to Ir(ppy)(3). (C) 2008 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.12.028