| 871245-86-2

• CAS: 871245-86-2
• 化学式: C₄₄H₂₀Cl₂F₁₂Ir₂N₄
• 分子量: 1288.0
• InChiKey: NCWIYTFIPLNJMH-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  2-吡啶甲酸 、 在 sodium carbonate 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  Efficient blue and bluish-green iridium phosphors: Fine-tuning emissions of FIrpic by halogen substitution on pyridine-containing ligands

  摘要：

  Three new iridium compounds, 4-F-FIrpic, 4-Cl-FIrpic and 4-Br-FIrpic, were designed and synthesized by introducing the F, Cl and Br atoms to the 4-position of pyridine ring in the frame of sky-blue emitter, FIrpic. Adding F atom stabilizes the HOMO level of FIrpic but keeps the LUMO level of FIrpic almost unchanged, which consequently broadens the HOMO-LUMO gap of FIrpic and finely tunes the emission to 465 nm of 4-F-FIrpic from 470 nm of FIrpic. In contrast, introducing of Cl and Br atoms simultaneously lowers the HOMO and LUMO levels of FIrpic, which brings about the squeeze of HOMO-LUMO gap in FIrpic and makes the emissions of 4-Cl-FIrpic and 4-Br-FIrpic red-shift to 475 and 479 nm, respectively. The phosphorescent organic light-emitting devices using the three iridium compounds as dopants were fabricated with the following configuration: ITO/MoO3/TAPC/TCTA: dopants/Tm/LiF/Al. The device based on 4-F-FIrpic showed a blue emission with the Commission Internationale de L'Eclairage coordinate of (0.15, 0.28), and revealed rather high efficiencies, with maximum current efficiency of 29 cd A(-1), power efficiency of 29 lm W-1 and external quantum efficiency of 14.6%. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.orgel.2013.09.026
• 作为产物：
  描述：

  2,4-二氟苯硼酸 在 palladium diacetate 、 potassium carbonate 、 三苯基膦 作用下， 以 乙二醇乙醚 、 乙二醇二甲醚 、 水 为溶剂， 反应 36.0h， 生成
  参考文献：
  名称：

  Efficient blue and bluish-green iridium phosphors: Fine-tuning emissions of FIrpic by halogen substitution on pyridine-containing ligands

  摘要：

  Three new iridium compounds, 4-F-FIrpic, 4-Cl-FIrpic and 4-Br-FIrpic, were designed and synthesized by introducing the F, Cl and Br atoms to the 4-position of pyridine ring in the frame of sky-blue emitter, FIrpic. Adding F atom stabilizes the HOMO level of FIrpic but keeps the LUMO level of FIrpic almost unchanged, which consequently broadens the HOMO-LUMO gap of FIrpic and finely tunes the emission to 465 nm of 4-F-FIrpic from 470 nm of FIrpic. In contrast, introducing of Cl and Br atoms simultaneously lowers the HOMO and LUMO levels of FIrpic, which brings about the squeeze of HOMO-LUMO gap in FIrpic and makes the emissions of 4-Cl-FIrpic and 4-Br-FIrpic red-shift to 475 and 479 nm, respectively. The phosphorescent organic light-emitting devices using the three iridium compounds as dopants were fabricated with the following configuration: ITO/MoO3/TAPC/TCTA: dopants/Tm/LiF/Al. The device based on 4-F-FIrpic showed a blue emission with the Commission Internationale de L'Eclairage coordinate of (0.15, 0.28), and revealed rather high efficiencies, with maximum current efficiency of 29 cd A(-1), power efficiency of 29 lm W-1 and external quantum efficiency of 14.6%. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.orgel.2013.09.026