di-μ-chlorotetrakis[4,6-bis(trifluoromethyl)-2-(4-methyl-2-pyridinyl-κN)phenyl-κC]diiridium | 956337-84-1

• 英文名称: di-μ-chlorotetrakis[4,6-bis(trifluoromethyl)-2-(4-methyl-2-pyridinyl-κN)phenyl-κC]diiridium
• CAS: 956337-84-1
• 化学式: C₅₆H₃₂Cl₂F₂₄Ir₂N₄
• 分子量: 1672.2
• InChiKey: XNHGEZZGEGYOCO-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：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  di-μ-chlorotetrakis[4,6-bis(trifluoromethyl)-2-(4-methyl-2-pyridinyl-κN)phenyl-κC]diiridium 、 2-(咪唑-2-基)吡啶 在 potassium carbonate 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以50%的产率得到
  参考文献：
  名称：

  用于高效天蓝色磷光有机发光二极管的新型三氟甲基改性铱（III）配合物

  摘要：

  以双（三氟甲基）修饰的4-甲基-2-苯基吡啶为环金属化配体，2-（1 H）配位化合物（Ir-CF 3 -咪唑-2-基)吡啶作为辅助配体。红外-CF 3显示强烈的天蓝色磷光（465 nm，肩峰为 494 nm），溶液光致发光效率高（0.22）。三氟甲基部分掺入复合物中不仅增强了强大的化学稳定性，而且还提供了有利于有机发光二极管的空间位阻。基于这种复合物的天蓝色 OLED 显示出窄发射带，半峰全宽为 54 nm。电致发光的峰值功率效率、电流效率和外量子效率分别高达36.05 lm/W、51.45 cd/A和21.74%。

  DOI：

  10.1016/j.tetlet.2021.153181
• 作为产物：
  描述：

  2-[3,5-双(三氟甲基)苯基]-4-甲基吡啶 、 iridium(III) chloride trihydrate 以 乙二醇乙醚 、 水 为溶剂， 生成 di-μ-chlorotetrakis[4,6-bis(trifluoromethyl)-2-(4-methyl-2-pyridinyl-κN)phenyl-κC]diiridium
  参考文献：
  名称：

  用于高效天蓝色磷光有机发光二极管的新型三氟甲基改性铱（III）配合物

  摘要：

  以双（三氟甲基）修饰的4-甲基-2-苯基吡啶为环金属化配体，2-（1 H）配位化合物（Ir-CF 3 -咪唑-2-基)吡啶作为辅助配体。红外-CF 3显示强烈的天蓝色磷光（465 nm，肩峰为 494 nm），溶液光致发光效率高（0.22）。三氟甲基部分掺入复合物中不仅增强了强大的化学稳定性，而且还提供了有利于有机发光二极管的空间位阻。基于这种复合物的天蓝色 OLED 显示出窄发射带，半峰全宽为 54 nm。电致发光的峰值功率效率、电流效率和外量子效率分别高达36.05 lm/W、51.45 cd/A和21.74%。

  DOI：

  10.1016/j.tetlet.2021.153181

文献信息

• Synthesis, structural characterization, and initial electroluminescent properties of bis-cycloiridiated complexes of 2-(3,5-bis(trifluoromethyl)phenyl)-4-methylpyridine
  作者：Alex S. Ionkin、Ying Wang、William J. Marshall、Viacheslav A. Petrov

  DOI：10.1016/j.jorganchem.2007.06.026

  日期：2007.10

  A series of bis-cyclometalated Ir(III) complexes (8-10, 12, 15, 17, 19, 21, 23, 25, 28, 29 and 33) bearing two chromophoric N boolean AND C cyclometalated ligands derived from 2-(3,5-bis(trifluoromethyl)phenyl)-4-methylpyridine (1) and a third nonchromophoric ligand has been synthesized. A palladium-catalyzed cross-coupling reaction between 2-chloro-4-methylpyridine (2) and 3,5-bis(trifluoromethyl)phenylboronic acid (3) was used to prepare 2-(3,5-bis(trifluoromethyl)phenyl)-4-methylpyridine (1). Cyclometalation of (1) by IrCl3 was carried out in (MeO)(3)P = O, with the formation of chloro-bridged dimer [N boolean AND C](2)Ir(mu-Cl)(2)Ir[C boolean AND N](2) (8). Reaction of (8) with lithium 2,4-pentanedionate, lithium 2,2,6,6-tetramethyl-heptane-3,5-dionate (13), dipivaloyltrimethylsilylphosphine (14), 2,2-dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octadione (16), 1,1,1,3,3,3-hexafluoro-2-pyridin-2-yl-propan-2-ol (18), 1,1,1,3,3,3-hexafluoro-2-pyrazol-1-ylmethyl-propan-2-ol (20), 2-diphenylphosphanylethanol (22), and 1-diphenylphosphanylpropan-2-ol (24), afforded octahedral iridium complexes 9, 12, 15, 17, 19, 21, 23 and 25, respectively. Complex 10, which contains three different ligands (L-1 = N boolean AND C of 1; L-2 = N boolean AND C of 4,4'-dimethyl-[2,2']bipyridinyl 4; L-3 = O boolean AND O of 2,4-pentanedione), and complex 11, which contains no cyclometalated ligands (L-1 = 4; L-2 = L-3 = Cl; L-4 = O boolean AND O of 2,4-pentanedione) were also isolated as minor products in a one-pot reaction between a 94:5 mixture of I and 4, IrCl3 and lithium 2,4-pentanedionate. Reaction of 8 with diphenylphosphanylmethanol (27) in 1,2-dichloroethane unexpectedly led to complexes 28 and 29. The reactions of 8 with benzoylformic acid resulted in the formation of hydroxyl-bridged dimer [N boolean AND C](2)Ir(mu-OH)(2)Ir[C boolean AND N](2) (33). According to X-ray analyses, Ir-to-Ir distances in the crystal cell increase from 6.86 angstrom for 10 to 13.31 angstrom for 33. The angle theta, which represents the twisting of two cyclometalated C-Ir-N planes relative to each other, varies from 97.5 degrees for 21 to 90.76 for complex 28. OLED devices were fabricated from several Ir complexes and preliminary results are discussed. (C) 2007 Elsevier B.V. All rights reserved.