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A Quantum-Chemical Insight into the Role of Charge-Transfer States in Organic Emitters for Electroluminescence
CCS Chemistry ( IF 11.2 ) Pub Date : 2020/8/6 , DOI: 10.31635/ccschem.020.202000281
Xian-Kai Chen 1
Affiliation  

The rapid progress of the design and development of efficient organic electroluminescent emitters without heavy transition metals has been achieved in recent experimental investigations. In this minireview, based on his recent theoretical works on purely organic emitters, the author provides a quantum-chemical insight into the role of charge-transfer (CT) electronic states in electroluminescence exploiting organic thermally activated delayed fluorescence (TADF) and radical emitters. The author discusses the electronic structure factors impacting the efficiencies of organic TADF and radical emitters, such as the characteristics of the singlet, doublet, and triplet excited states, the singlet–triplet energy gap, the spin–orbit coupling, the solid-state polarization effect, and the second-order spin–vibronic coupling mechanism in spin–flip processes. The author hopes this minireview will be useful for further understanding of the photophysical mechanism and designing more novel and efficient organic electroluminescent materials (not limited to TADF and radical emitters).

中文翻译:

电荷转移态在有机发光体中的电致发光作用的量子化学研究。

在最近的实验研究中,已经实现了没有重过渡金属的高效有机电致发光发射器的设计和开发的快速进展。在这篇小型综述中,基于他最近关于纯有机发射体的理论研究,作者利用有机热激活的延迟荧光(TADF)和自由基发射体,对电荷转移(CT)电子态在电致发光中的作用提供了量子化学的见解。作者讨论了影响有机TADF和自由基发射体效率的电子结构因素,例如单重态,双重态和三重态激发态的特性,单重态-三重态能隙,自旋-轨道耦合,固态极化效应,以及自旋翻转过程中的二阶自旋振动耦合机制。
更新日期:2020-09-16
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