Development of multiple resonance effect-based TADF materials

T. Hatakeyama
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Abstract

Multiple resonance (MR) effect of boron and nitrogen/oxygen atoms induces the localization of the HOMO and LUMO on different atoms and minimizes their bonding/anti-bonding character; the resulting non-bonding molecular orbitals minimize the vibronic coupling and vibrational relaxation in the material, allowing the realization of an extremely sharp emission band and high PLQY. Moreover, the significant localization of the HOMO and LUMO reduces the energy gap between the S1 and T1 states, promoting the reverse intersystem crossing and thermally activated delayed fluorescence (TADF). Here, we present recent achievements in MR-TADF materials, construction of new core structures, and device applications.
基于多重共振效应的TADF材料的研制
硼和氮/氧原子的多重共振(MR)效应诱导HOMO和LUMO在不同原子上的定位,使它们的成键/反键特性最小化;由此产生的非成键分子轨道最小化了材料中的振动耦合和振动弛豫,从而实现了极尖锐的发射带和高PLQY。此外,HOMO和LUMO的显著定位减小了S1和T1态之间的能隙,促进了系统间的反向交叉和热激活延迟荧光(TADF)。在这里,我们介绍了最近在MR-TADF材料、新核心结构的构建和器件应用方面的成就。
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