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首页> 外文期刊>Journal of Materials Chemistry: An Interdisciplinary Journal dealing with Synthesis, Structures, Properties and Applications of Materials, Particulary Those Associated with Advanced Technology >Colour tuning from green to red by substituent effects in phosphorescent tris-cyclometalated iridium(III) complexes of carbazole-based ligands: synthetic, photophysical, computational and high efficiency OLED studies
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Colour tuning from green to red by substituent effects in phosphorescent tris-cyclometalated iridium(III) complexes of carbazole-based ligands: synthetic, photophysical, computational and high efficiency OLED studies

机译:通过咔唑基配体的磷光三环金属化铱(III)配合物中的取代基效应,从绿色变为红色:合成,光物理,计算和高效OLED研究

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摘要

Two series of fac-tris-cyclometalated iridium(III) complexes, series 1 from the 2-(carbazoI-3'-yl)-pyridine ligands, and series 2 from the isomeric 2-(carbazol-2'-yl)-pyridine ligands, have been characterised. The photoluminescence and electroluminescence from series 2 complexes are red shifted compared to series 1 complexes, due to the increased electron donating ability of the carbazole unit in series 2. The attachment of trifluoromethyl and methoxy substituents to the pyridyl ring in these complexes results in colour tuning of phosphorescence energy maxima over the range 494-637 nm (green to red). These complexes possess predominantly ~3MLCT (metal-to-ligand-charge transfer) excited states. DFT/TD-DFT computations correctly predict the phosphorescence emission maxima and show that the HOMOs in these complexes contain mixed iridium and carbazolyl character. The carbazolyl ligand contributions to the excited states increase in series 2 compared to series 1. Complexes of series 1 exhibit high phosphorescence quantum yields whereas complexes of series 2 show lower quantum yields. Solution processed organic light emitting devices (OLEDs) with series I complexes using the high triplet poly(9-vinylcarbazole) (PVK) as the host polymer exhibit very high performances of up to 40 cd A~(-1) and external quantum efficiency of 12%. For series 2 the highest current efficiency is 10.3 cd A~(-1) and external quantum efficiency of 5.6%.
机译:两个系列的fac-tris-环金属化铱(III)配合物,系列1来自2-(咔唑基-3'-基)-吡啶配体,系列2来自异构体2-(咔唑-2'-基)-吡啶配体已被表征。与系列1的配合物相比,系列2的配合物的光致发光和电致发光都发生了红移,这是由于系列2的咔唑单元的供电子能力增强了。 494-637 nm(绿色至红色)范围内的磷光能量最大值。这些络合物主要具有〜3MLCT(金属到配体电荷转移)的激发态。 DFT / TD-DFT计算可正确预测磷光发射最大值,并表明这些络合物中的HOMO具有混合的铱和咔唑基特征。与系列1相比,系列2中咔唑基配体对激发态的贡献增加。系列1的配合物显示出较高的磷光量子产率,而系列2的配合物显示出较低的量子产率。使用高三重态聚(9-乙烯基咔唑)(PVK)作为主体聚合物的具有I系列配合物的溶液处理有机发光器件(OLED),具有高达40 cd A〜(-1)的极高性能,且外部量子效率为12%。对于系列2,最高电流效率为10.3 cd A〜(-1),外部量子效率为5.6%。

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