bis(2-(2′,4′-difluoro-3′-trifluoromethylphenyl)-4-methylpyridinato-N,C^2′)iridium(picolinate) | 909905-20-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: bis(2-(2′,4′-difluoro-3′-trifluoromethylphenyl)-4-methylpyridinato-N,C^2′)iridium(picolinate)
• 英文别名: Ir(dfCF3)2(pic)；[(4-methyl-2-(2',4'-difluorophenyl-3'-trifluoromethyl-5'-yl)-pyridine)2 iridium(III) picolinate]
• CAS: 909905-20-0
• 化学式: C₃₂H₁₈F₁₀IrN₃O₂
• 分子量: 858.718
• InChiKey: SDOOXDHWFUSQHW-UHFFFAOYSA-M

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

• 作为产物：
  描述：

  2-吡啶甲酸 、 [Ir(2-(2,4-difluoro-3-(trifluoromethyl)-phenyl)-4-methylpyridine)₂Cl]₂ 在 sodium carbonate 作用下， 以 乙二醇乙醚 为溶剂， 反应 12.0h， 以60%的产率得到bis(2-(2′,4′-difluoro-3′-trifluoromethylphenyl)-4-methylpyridinato-N,C^2′)iridium(picolinate)
  参考文献：
  名称：

  辅助配体在发蓝光的杂原子Ir（iii）配合物的发射行为中的重要作用†

  摘要：

  一系列杂的Ir（的III 2-（2,4-二氟-3-（三氟甲基）苯基）组成的）配合物-4-甲基吡啶（dfCF 3）为主要配体和这样的辅助配体乙酰丙酮物[Ir（dfCF 3）2（acac）]（acac），吡啶甲酸[Ir（dfCF 3）2（pic）]（pic）和四[吡唑基硼酸酯] [Ir（dfCF 3）2（bor）]（bor）制备出来。系统地研究了取决于辅助配体的发射行为。结果发现，排放量的黄–Rhys因子（S M s）在bor阶上降低。（0.97）> acac（0.87）> pic（0.76），而根据量子产率和发射寿命计算出的非辐射速率常数（k nr / 10 5 s -1）依次为acac（4.89）> pic（1.17） ）> bor（0.28）。假定配合物的k nr的较大差异是由于辅助配体对从发射态（3 MLCT）到非发射金属中心态（3 MC）的交叉的重要贡献所致。活化能为交叉从3 MLC

  DOI：

  10.1039/c7tc00844a

文献信息

• 발광층의 도펀트용 금속 착화합물 및 이를 포함하는 청색 인광 유기발광소자
  申请人：Korea University Research and Business Foundation, Sejong Campus 고려대학교 세종산학협력단(120160588723) Corp. No ▼ 164771-0006826BRN ▼630-82-00092

  公开号：KR20160109596A

  公开（公告）日：2016-09-21

  금속 착화합물은 아래의 화학식1로 이루어진다. [화학식 1]

  金属配合物由下面的化学式1组成。 [化学式 1]
• Sky-blue phosphorescent iridium(III) complexes with two substituted 2-phenylpyridine derivatives and one picolinic acid for organic light-emitting diodes
  作者：Seong-Jae Yun、Hoe-Joo Seo、Myungkwan Song、Sung-Ho Jin、Sung Kwon Kang、Young-Inn Kim

  DOI：10.1016/j.jorganchem.2012.11.016

  日期：2013.1

  Two sky-blue phosphorescent heteroleptic cyclometalated iridium(III) complexes, bis(2-(2',4'-difluoro-3'-trifluoromethylphenyl)-4-methylpyridinato-N,C-2')iridium(picolinate) [(dfpmpyCF(3))(2)Ir(pic)] (1) and bis(2-(2',4'-difluoro-3'-hexylcarbazolephenyl)-4-methylpyridinato-N,C-2')iridium(picolinate) [(dfpmpyh-Cz)(2)Ir(pic)] (2), were synthesized and characterized. Energy transfer from the carbazol moiety to the iridium core in compound 2 resulted in higher quantum efficiency than with compound 1. The electronegative effect of the -CF3 group on the phenyl ring in the phenylpyridine main ligand resulted in a hypsochromic shift of the emitting spectra in compound 1. In contrast, the sky-blue emission without a red shift in compound 2 indicated a negligible inductive effect of the long chain hexylcarbazole unit on the electronic state of the phenyl ring. The single crystal X-ray structural analysis showed that compound 1 adopts a distorted octahedral geometry around the iridium metal exhibiting cis-C,C' and trans-N,N' chelate disposition. An electroluminescent devices using the iridium complexes as a dopant in the emitting layer has been fabricated. The best device performance based on compound 1 demonstrated a maximum luminance (L), external quantum efficiency (EQE), luminance efficiency (LE) and power efficiency (PE) of 5750 cd/m(2), 7.53%, 16.86 cd/A and 5.88 lm/W, respectively with Commission Internationale de L'Eclairage (CIE) coordinates of (0.17,0.40). (C) 2012 Elsevier B.V. All rights reserved.