iridium(III) bis[2-(2,4-difluorophenyl)pyridinato-N,C(2')][2-(6-methylbenzoxazol-2-yl)phenolate] | 1012309-52-2

• 分子结构分类: 有机化合物
• 英文名称: iridium(III) bis[2-(2,4-difluorophenyl)pyridinato-N,C(2')][2-(6-methylbenzoxazol-2-yl)phenolate]
• 英文别名: iridium(III) bis(2-(2,4-difluorophenyl)pyridinato-N,C(2'))(2-(6-methylbenzoxazolyl)phenolate)；[(dfppy)2Ir(2-(6-methylbenzoxazol-2-yl)phenolato)]
• CAS: 1012309-52-2
• 化学式: C₃₆H₂₂F₄IrN₃O₂
• 分子量: 796.803
• InChiKey: XTLQNINZSUKCJF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 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

• 作为产物：
  描述：

  2-(2-hydroxyphenyl)-6-methylbenzoxazole 、 bis[2-(2,4-difluorophenyl)pyridinato-N,C6']iridium(III) chloride dimer 在 sodium carbonate 作用下， 以 乙二醇乙醚 为溶剂， 以62%的产率得到iridium(III) bis[2-(2,4-difluorophenyl)pyridinato-N,C(2')][2-(6-methylbenzoxazol-2-yl)phenolate]
  参考文献：
  名称：

  当前感兴趣的杂多铱（III）配合物的光物理；仔细研究松弛动力学

  摘要：

  已使用飞秒-纳秒时间分辨发光和瞬态吸收光谱研究了杂铱（III）配合物的激发态动力学。此处举例说明的两个典型实例是铱[III]双[2-（2,4-二氟苯基）吡啶基-N，C 2' ]喹啉（1）和铱（III）双[2-（2,4-二氟苯基）吡啶基铱- N，C 2' ] [2-（6-甲基苯并恶唑-2-基）苯酚]（2）。在例如400 nm处进行光激发后，在1和2的磷光区域监控发射衰减由系统响应受限上升（<300 ps）和单个指数衰减组成。室温下在CH 2 Cl 2中获得的单波长以及飞秒级皮秒级瞬态吸收的全光谱显示超快的S 1 →T n系统间穿越（<1 ps）和快速的T n →T 1内部转换/振动在<10 ps的时间内放松。结果使我们得出结论，在弗兰克-康登激发之后，填充最低三重态所需的时间尺度应小于10 ps。

  DOI：

  10.1021/ic9003164

文献信息

• Highly Phosphorescent Iridium Complexes with Chromophoric 2-(2-Hydroxyphenyl)oxazole-Based Ancillary Ligands: Interligand Energy-Harvesting Phosphorescence
  作者：Youngmin You、Jangwon Seo、Se Hun Kim、Kil Suk Kim、Tae Kyu Ahn、Dongho Kim、Soo Young Park

  DOI：10.1021/ic701778f

  日期：2008.3.1

  We disclose a controlled phosphorescence color tuning in a Series of cyclometalated heteroleptic Ir(III) complexes (Ir(III) bis(2-(2,4-difluorophenyl)pyridinato-C,N-2') (LX)) containing chromophoric 2-(2-hydroxyphenyl)oxazole-derivative ancillary ligands (LX). From a cyclometalated chloride-bridged Ir(III) dimer, three highly emissive cyclometalated heteroleptic Ir(III) complexes were obtained in good yields, each with a different conjugative plane in the chromophoric ancillary ligand (i.e., 2-(2-hydroxyphenyl)-4-methyloxazole, 2-(2-hydroxyphenyl)-6-methylbenzoxazole, and 2-(2-hydroxyphenyl)naphthoxazole). The three Ir(Ill) complexes showed highly efficient greenish blue (500 nm), green (525 nm), and yellow (552 nm) phosphorescence, respectively; a regular ca. 0.11 eV bathochromic shift was observed for each additional phenyl ring fused to the oxazole ring in the ancillary ligand. From the absorption, electrochemical measurements, static and transient photoluminescence (PL), and time-dependent density functional theory (TD-DFT) calculations, it can be concluded that the Ir(Ill) complexes have a single emission center with dual excitation paths. Finally, this characteristic energy-harvesting phosphorescence was further demonstrated in electrophosphorescence devices.