iridium(III)bis(4,5-dimethyl-1-(p-methylphenyl)-2-(4-fluorophenyl)-1H-imidazolato-N,C2)(picolanate) | 1312592-62-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: iridium(III)bis(4,5-dimethyl-1-(p-methylphenyl)-2-(4-fluorophenyl)-1H-imidazolato-N,C2)(picolanate)
• CAS: 1312592-62-3
• 化学式: C₄₂H₃₆F₂IrN₅O₂
• 分子量: 872.997
• InChiKey: NUEWOHOXKDJCMT-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-吡啶甲酸 、 [IrCl((4,5-dimethyl-1-(p-tolyl)-2-(4-fluorophenyl)-1H-imidazolato-N,C2)2]2 在 K₂CO₃ 作用下， 以 乙二醇乙醚 为溶剂， 以65%的产率得到iridium(III)bis(4,5-dimethyl-1-(p-methylphenyl)-2-(4-fluorophenyl)-1H-imidazolato-N,C2)(picolanate)
  参考文献：
  名称：

  Physicochemical studies of green phosphorescent light-emitting materials from cyclometalated heteroleptic iridium(III) complexes

  摘要：

  A series of novel imidazole ligands were synthesized and characterized. Phosphorescence studies of series of heteroleptic cyclometalated iridium(III) complexes reveal that these complexes possess dominantly (MLCT)-M-3 and (3)pi-pi* excited states and the solvent shifts of these complexes are interpreted by Richardt-Dimroth and Marcus solvent functions. The results consistent with prior assignments on the absorption band to a metal-to-ligand charge transfer excited state associated with chelating ligand. Emission kinetic studies exploited that the radiative transition (k(r)), increases with increasing lambda(em) and linear correlation exists between In(k(nr)) and energy gap. Electronic transition theory is applied to study the effect of E-g and Delta Q(e), on non-radiative transition (k(nr)). With a larger Delta Q(e), favouring vibrational overlap and leading to a larger value for k(nr). (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2011.02.052