A modular approach to efficient thermally activated delayed fluorescence from metal-perturbed intraligand charge-transfer excited state of Au(Ⅰ)complexes

作     者：Jian-Gong Yang Xingyu Feng Guohua Xie Nengquan Li Jiayu Li Xiu-Fang Song Ming-De Li Jingling Zhang Xiaoyong Chang Kai Li 

作者机构：Shenzhen Key Laboratory of New Information Display and Storage MaterialsGuangdong Provincial Key Laboratory of New Energy Materials Service SafetyCollege of Materials Science and EngineeringShenzhen UniversityShenzhen 518055China Hubei Key Laboratory of Biomass Fibers and Eco-dyeing&FinishingDepartment of Chemistry and Chemical EngineeringWuhan Textile UniversityWuhan 430200China The Institute of Flexible Electronics(Future Technologies)Xiamen UniversityXiamen 361005China Key Laboratory for Preparation and Application of Ordered Structural Materials of Guangdong ProvinceDepartment of ChemistryShantou UniversityShantou 515031China Department of ChemistrySouthern University of Science and TechnologyShenzhen 518055China 

出 版 物：《Science China Chemistry》 (中国科学（化学英文版）)

年 卷 期：2024年第67卷第12期

页      面：4149-4157页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 070304[理学-物理化学(含∶化学物理)] 08[工学] 0817[工学-化学工程与技术] 0703[理学-化学] 

基　　金：supported by the National Natural Science Foundation of China(22322505,22271196,22301226) the Shenzhen Science and Technology Program(ZDSYS20210623091813040) support from the Department of Science and Technology of Guangdong Province(2019QN01C617) 

主　　题：gold(Ⅰ)complex OLED thermally activated delayed fluorescence(TADF) MPICT 

摘      要：The efficient harvesting of triplet excitons is crucial to the realization of high-performance organic light-emitting diodes(OLEDs).Herein,we show that coordination of donor-acceptor(D-A)type molecules to a metal atom in a monodentate fashion can lead to thermally activated delayed fluorescence(TADF)emissions with wide color tunability only through varying the noncoordinating acceptor moiety.A panel of TADF gold(Ⅰ)complexes with emission maxima(λmax)of 545–645 nm from metal perturbed intraligand charge-transfer(MPICT)excited states have been *** effects of heavy atom-induced spin-orbit coupling(SOC),steric-induced donor-acceptor twisting and suppressed intramolecular motions lead to high emission efficiencies of 65%-85%in doped films with delayed fluorescence lifetime of as short as 2.0μ*** absorption spectroscopic studies on selected complexes determined the kISCto be 6.5×10^(9)s^(-1).Theoretical calculations confirmed the participation of minor d orbital into the lowest excited state,which led to an SOC value of 5.19 cm^(-1)between the lowest-lying singlet and triplet excited *** yellow to deep red solution-processed OLEDs based on the new gold(Ⅰ)complexes incorporated with various D-A ligands demonstrated promising *** study validates a modular design for TADF metal complexes,which will broaden the choices of metal centers and allow for facile color tuning via simple ligand synthesis.