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Scale-up Chemical Synthesis of Thermally-activated Delayed Fluorescence Emitters Based on the Dibenzothiophene-S,S-Dioxide Core
Published on: October 24, 2017
A theoretical investigation of thermally activated delayed fluorescent palladium(II) complexes for organic light
Zhiye Zhu1, Zishuo Zhang1, Chaoliang Zhao1
1Key Laboratory of Micro-Nano Materials for Energy Storage and Conversion of Henan Province, Institute of Surface Micro and Nano Materials, College of Chemical and Materials Engineering, Xuchang University, Henan, 461000, P. R. China. oyezzy@outlook.com.
Abstract:
It is of great importance and worth making efforts to shed light on the structure-property relationship and microscopic mechanism of thermally activated delayed fluorescence (TADF) emitters with high quantum yield by high-precision theoretical investigation. Here, we perform a detailed computational investigation to briefly elaborate the structure-TADF performance relationship and luminescence mechanism of the high efficiency of recently designed TADF emitter palladium(II) complexes named Pd1 and Pd2. The Pd(II) complexes show a high decay rate of S1 → S0, effective reverse intersystem crossing (RISC), and good relative stability of the T1 state, which could be responsible for their excellent TADF performance in experiments.
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