[Ir(benzo[de]benzo[4,5]imidazo[2,1-α]isoquinolin-7-one(-1H))2(μ-Cl)]2 | 683262-88-6

• 英文名称: [Ir(benzo[de]benzo[4,5]imidazo[2,1-α]isoquinolin-7-one(-1H))2(μ-Cl)]2
• CAS: 683262-88-6
• 化学式: C₇₂H₃₆Cl₂Ir₂N₈O₄
• 分子量: 1532.48
• InChiKey: CLPKXZABNMPVOF-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 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(benzo[de]benzo[4,5]imidazo[2,1-α]isoquinolin-7-one(-1H))2(μ-Cl)]2 、 乙酰丙酮 在 Na₂CO₃ 作用下， 以 乙二醇乙醚 为溶剂， 以72%的产率得到[Ir(benzo[de]benzo[4,5]imidazo[2,1-α]isoquinolin-7-one(-1H))2(acetylacetonate)]
  参考文献：
  名称：

  Synthesis of a highly phosphorescent emitting iridium(III) complex and its application in OLEDs

  摘要：

  A rigid ligand benzo[de] benzo[4,5] imidazo[2,1-alpha]isoquinolin-7-one (biio) was designed and conveniently synthesized, and the corresponding bis-cyclometalated iridium complex (biio)(2)Ir(acac) (acac = acetylacetone) was prepared. The light emitting and electrochemical properties of this complex were studied. The complex has the characters of simply synthetic procedure and strong phosphorescence. The electroluminescent device using this complex as dopant was fabricated. The device had the structure of ITO/NPB (40 nm)/Ir complex: CBP (7%, 30 nm)/BCP (15 nm)/Alq3 (30 nm)/LiF (1 nm)/Al (100 nm). The maximum emission of the device was at 496 nm. The maximum brightness of the device can reach 79640 cd m (2) with an external quantum efficiency of 12.1% and a maximum current efficiency of 31.7 cd A (1). (c) 2008 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.05.030
• 作为产物：
  描述：

  氯化铱(III) 水合物 、 苯并咪唑并[2,1-A]苯并[D,E]异奎千酮-7-酮 以 乙二醇乙醚 、 水 为溶剂， 生成 [Ir(benzo[de]benzo[4,5]imidazo[2,1-α]isoquinolin-7-one(-1H))2(μ-Cl)]2
  参考文献：
  名称：

  Synthesis of a highly phosphorescent emitting iridium(III) complex and its application in OLEDs

  摘要：

  A rigid ligand benzo[de] benzo[4,5] imidazo[2,1-alpha]isoquinolin-7-one (biio) was designed and conveniently synthesized, and the corresponding bis-cyclometalated iridium complex (biio)(2)Ir(acac) (acac = acetylacetone) was prepared. The light emitting and electrochemical properties of this complex were studied. The complex has the characters of simply synthetic procedure and strong phosphorescence. The electroluminescent device using this complex as dopant was fabricated. The device had the structure of ITO/NPB (40 nm)/Ir complex: CBP (7%, 30 nm)/BCP (15 nm)/Alq3 (30 nm)/LiF (1 nm)/Al (100 nm). The maximum emission of the device was at 496 nm. The maximum brightness of the device can reach 79640 cd m (2) with an external quantum efficiency of 12.1% and a maximum current efficiency of 31.7 cd A (1). (c) 2008 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.05.030

文献信息

• Naphthalene Benzimidazole Based Neutral Ir(III) Emitters for Deep Red Organic Light-Emitting Diodes
  作者：Palanisamy Rajakannu、Hyung Suk Kim、Woochan Lee、Ajay Kumar、Min Hyung Lee、Seunghyup Yoo

  DOI：10.1021/acs.inorgchem.0c01561

  日期：2020.9.8

  benzimidazole (NBI) based ligands (L1 and L2) are synthesized and utilized to make deep red phosphorescent cyclometalated iridium(III) complexes ([Ir(NBI)2(PyPzCF3)] (1) and [Ir(DPANBI)2(PyPzCF3)] (2)). Complexes 1 and 2 are prepared from the reaction of L1/L2 with the aid of ancillary ligands (PyPzCF3, 2-(3-(trifluoromethyl)-1H-pyrazol-5-yl)pyridine) in a two step method. The complexes are characterized by

  合成基于刚性萘苯并咪唑（NBI）的配体（L 1和L 2），并用于制备深红色磷光环金属化铱（III）络合物（[Ir（NBI）2（PyPz CF3）]（1）和[Ir（DPANBI ）2（PyPz ）]（2））。络合物1和2是从L的反应制得1 / L 2与辅助配体的辅助下（PyPz ， 2-（3-（三氟甲基）-1 ħ-吡唑-5-基）吡啶）的两步法。配合物的特征在于分析和光谱方法，以及1的X射线衍射。这些络合物在635–700 nm范围内显示出强发射，并延伸到近红外区域（800 nm）。在萘单元上引入二苯氨基（DPA）供体基团会导致发射进一步的红移。配合物表现出的辐射的量子效率（Φ PL）在聚（甲基丙烯酸甲酯）薄膜中为0.27–0.29），磷光衰减寿命相对较短（τ= 1.1–3.5μs）。在密度泛函理论（DFT）和时变DFT计算的支持下研究了结构，电子和光学特性。计算结果表明，最低的三重态（T
• Efficient Phosphorescence from Naphthalenebenzimidizole‐Coordinated Iridium(III) Chromophores
  作者：James E. Yarnell、Patricia De La Torre、Felix N. Castellano

  DOI：10.1002/ejic.201700669

  日期：2017.12

  The electronic structure and photophysical properties of two phosphorescent iridium(III) cyclometalated complexes is presented. The molecules were synthesized by cyclometalating the ligand 1,8-naphthalenebenzimidizole (NBI), to an iridium(III) metal center. Two NBI ligands were covalently attached along with a 1,10-phenanthroline (phen) ligand producing the [Ir(NBI)2(phen)](PF6) complex and three NBI

  介绍了两种磷光铱 (III) 环金属化配合物的电子结构和光物理性质。这些分子是通过将配体 1,8-萘苯并咪唑 (NBI) 环金属化到铱 (III) 金属中心来合成的。两个 NBI 配体与一个 1,10-菲咯啉 (phen) 配体共价连接，产生 [Ir(NBI)2(phen)](PF6) 复合物，三个 NBI 配体用于制备相应的三环金属盐 fac-Ir (国调局)3。使用密度泛函理论计算、光致发光光谱和瞬态吸收光谱研究了这些新的 Ir(III) 分子的光学性质。发现这项研究的核心分子在 NBI 物种上包含长寿命的配体定位三重激发态，具有适合双分子光化学反应的能量。两种铱 (III) 生色团在光谱的可见光区都具有出色的光吸收性，光致发光量子效率接近 30%。