化学
有机发光二极管
吩嗪
咔唑
热稳定性
分子
系统间交叉
背景(考古学)
光化学
电致发光
分子内力
轨道能级差
堆积
立体化学
有机化学
生物
物理
古生物学
激发态
核物理学
单重态
图层(电子)
作者
Sunil Madagyal,Pawan Kumar Yadav,Gokul Ganesan,Prabhakar Chetti,Atul Chaskar
标识
DOI:10.1016/j.molstruc.2023.137236
摘要
The crucial point of present organic light emitting diode (OLED) research is the improvement of device stability and electroluminescent efficiency. Recently, cheaply available organic compound based thermally activated delayed fluorescent (TADF) emitters are promising to resolve current issues of OLEDs. In this context, we have designed and successfully synthesized a two novel hybrid molecules 3-(4-(9,9-dimethylacridin-10(9H)-yl)phenyl)-12,13- diphenyldibenzo[a,c]pyrazino[2,3-i]phenazine (Ac-DibzPyrQx) and 3-(4-(3,6-di-tert-butyl-9H-carbazol-9-yl)phenyl)-12,13 diphenyldibenzo[a,c]pyrazino [2,3-i]phenazine (tCz-DibzPyrQx), comprising electron-donating (9,9-dimethyl-9,10-dihydroacridine, 3,6-di-tert-butyl-9H-carbazole) and electron accepting Pyrazinophenazine groups. The incorporation of highly planar and rigid pyrazinophenazine electron-accepting moieties holds significant importance due to their unique properties. Their planar structure facilitates strong π-π stacking interactions and efficient charge transfer within the molecular framework, leading to improved exciton formation and enhanced intersystem crossing (ISC) rates, which are critical for TADF processes. The two different electron-donating groups with pyrazinophenazine were synthesized with the view to tune the photophysical and electrochemical properties of the hybrids. These compounds showed high thermal and morphological stability, as well as appropriate frontier molecular orbital (FMO) energy levels. These synthesized molecules show decomposition temperatures (262°C and 282°C) and exhibited good glass transition temperatures (328°C and 300°C), indicating their significant stability and potential utility as TADF emitters.
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