[Ir(4-phenylquinazolinato)2(μ-Cl)]2 | 866941-07-3

• 英文名称: [Ir(4-phenylquinazolinato)2(μ-Cl)]2
• 英文别名: [(nazo)2Ir(μ-Cl)]2
• CAS: 866941-07-3
• 化学式: C₅₆H₃₆Cl₂Ir₂N₈
• 分子量: 1276.3
• InChiKey: SIFYVXAEOOPDCG-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：

  [Ir(4-phenylquinazolinato)2(μ-Cl)]2 、 乙酰丙酮 在 sodium carbonate 作用下， 以 not given 为溶剂， 以63.5%的产率得到bis(4-phenylquinazolinato-N,C(2'))iridium(acetylacetonate)
  参考文献：
  名称：

  Color tuning of iridium complexes for organic light-emitting diodes: The electronegative effect and π-conjugation effect

  摘要：

  Novel red phosphorescent emitter bis(4-phenylquinazolinato-N,C-2') iridium(acetylacetonate) [(pqz)(2)Ir(acac)], bis(1-(1'-naphthyl)-5-methylisoquinolinato-N,C-2')iridium(acetylacetonate) [(1-mniq)(2)Ir(acac)] and bis(1-(2'-naphthyl)-5-methylisoquinolinato-N,C-2')iridium(acetylacetonate) [(2-mniq)(2)Ir(acac)] have been synthesized and fully characterized. The electronegative effect of (pqz)(2)Ir(acac) ligand shows almost the same influence as the extended pi-conjugation effect of (2-mniq)(2)Ir(acac). Density functional theory (DFT) was applied to calculate the Kohn-Sham orbitals of HOMOs and LUMOs in the iridium complexes to illustrate the N(1) electronegative atom effect. Finally, lowest triplet state (T-1) energies calculated by time-dependent DFT (TDDFT) were compared with the experimental electroluminescent data. The calculated data for the iridium complexes agreed fairly well with experimental data. Electroluminescent devices with a configuration of ITO/NPB/CBP:dopant/BCP/AlQ(3)/LiF/Al were fabricated. The device using (pqz)(2)Ir(acac) as a dopant showed deep-red emission with 1931 CIE (Commission International de L'Eclairage) chromaticity coordinates x = 0.70, y = 0.30. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.02.034
• 作为产物：
  描述：

  4-phenylquinazoline 、 氯化铱(III) 水合物 以 水 为溶剂， 生成 [Ir(4-phenylquinazolinato)2(μ-Cl)]2
  参考文献：
  名称：

  Color tuning of iridium complexes for organic light-emitting diodes: The electronegative effect and π-conjugation effect

  摘要：

  Novel red phosphorescent emitter bis(4-phenylquinazolinato-N,C-2') iridium(acetylacetonate) [(pqz)(2)Ir(acac)], bis(1-(1'-naphthyl)-5-methylisoquinolinato-N,C-2')iridium(acetylacetonate) [(1-mniq)(2)Ir(acac)] and bis(1-(2'-naphthyl)-5-methylisoquinolinato-N,C-2')iridium(acetylacetonate) [(2-mniq)(2)Ir(acac)] have been synthesized and fully characterized. The electronegative effect of (pqz)(2)Ir(acac) ligand shows almost the same influence as the extended pi-conjugation effect of (2-mniq)(2)Ir(acac). Density functional theory (DFT) was applied to calculate the Kohn-Sham orbitals of HOMOs and LUMOs in the iridium complexes to illustrate the N(1) electronegative atom effect. Finally, lowest triplet state (T-1) energies calculated by time-dependent DFT (TDDFT) were compared with the experimental electroluminescent data. The calculated data for the iridium complexes agreed fairly well with experimental data. Electroluminescent devices with a configuration of ITO/NPB/CBP:dopant/BCP/AlQ(3)/LiF/Al were fabricated. The device using (pqz)(2)Ir(acac) as a dopant showed deep-red emission with 1931 CIE (Commission International de L'Eclairage) chromaticity coordinates x = 0.70, y = 0.30. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.02.034

文献信息

• 一种含金属的有机络合物及其有机发光器件
  申请人：长春海谱润斯科技有限公司

  公开号：CN108558953A

  公开（公告）日：2018-09-21

  本发明公开了一种含金属的有机络合物及其有机发光器件，涉及有机光电材料技术领域。该络合物具有式(Ⅰ)所示结构，络合物结构中的富电子的双氮配位结构有利于稳定中心三价金属阳离子，同时，也会影响金属铱上的电子云分布，进而对于整个配合物分子的光电性质产生很大的影响，并且双氮配位结构的配体与金属构成的四元环具有更强的刚性，有利于减少不必要的振动能量损失，实现高效的发光性能。通过调节取代基基团，使络合物具有更好的热稳定性和化学性质。将络合物制备成器件，尤其是作为掺杂材料，器件表现出驱动电压低、发光效率高的优点，优于现有常用OLED器件。
• 一种红色有机电致磷光铱配合物及其在OLED器件上的应用
  申请人：江苏三月光电科技有限公司

  公开号：CN105294774A

  公开（公告）日：2016-02-03

  本发明公开了一种红色有机电致磷光铱配合物及其在OLED器件上的应用，所述铱配合物作为发光层的掺杂材料可以提高OLED发光器件性能，本发明所作出的OLED器件具有良好的光电性能，能够满足面板制造企业的要求。
• CLASS OF LUMINESCENT IRIDIUM(III) COMPLEXES WITH 2-(DIPHENYLPHOSPHINO)PHENOLATE LIGAND AND ORGANIC ELECTROLUMINESCENT DEVICE THEREOF
  申请人：Chi Yun

  公开号：US20080217582A1

  公开（公告）日：2008-09-11

  A new class of luminescent iridium(III) complexes, luminescent material and organic electroluminescent device thereof had been disclosed. The novel luminescent iridium(III) complexes comprises the formula [(ĈN) 2 Ir(P̂O)] with 2-(diphenylphosphino)phenolate as the ancillary chelate. The iridium complexes of the present invention can be used as the red, blue or green-emitting dopants. These luminescent materials can be applied in the fabrication of light-emitting layer of organic electroluminescent devices and providing the high efficiently red, blue or green light organic electroluminescent devices of commercial pursuits.

  一种新的发光铱(III)配合物、发光材料和有机电致发光器件已被披露。该新型发光铱(III)配合物包括公式[(ĈN)2Ir(P̂O)]，其中2-(二苯基膦基)苯酚是辅助配位基。本发明的铱配合物可用作红色、蓝色或绿色发射的掺杂剂。这些发光材料可应用于有机电致发光器件的发光层制备中，提供高效率的商业用途的红色、蓝色或绿色有机电致发光器件。