Tuning Intermolecular Singlet Fission Efficiencies of Perylenediimide Derivatives through Bay Aromatic Substitution  

作　　者：Chun-Lin Sun Xiao-Zhen Wang Hu-Hu Tian Qi-Wei Song Bo-Yang Zhang Xian Fei Cheng Zhang Jian-Rong Ma Juan Ye Hao-Li Zhang 

机构地区：[1]State Key Laboratory of Applied Organic Chemistry,Key Laboratory of Special Function Materials and Structure Design,College of Chemistry and Chemical Engineering,Frontiers Science Center for Rare Isotopes,Lanzhou University,Lanzhou,Gansu 730000,China [2]Tianjin Key Laboratory of Molecular Optoelectronic Sciences,Department of Chemistry,Tianjin University,Collaborative Innovation Center of Chemical Science and Engineering(Tianjin),Tianjin 300072,China

出　　处：《Chinese Journal of Chemistry》2023年第10期1170-1176,共7页中国化学（英文版）

基　　金：supported by the National Natural Science Foundation of China(NSFC 51733004,51525303,21702085,21602093,21572086,22075117,92256202,U22A20399);the Fundamental Research Funds for the Central Universities(lzujbky-2022-kb01,Izujbky-2021-sp33,Izujbky-2021-27),and Supercomputing Center of Lanzhou University.

摘　　要：Singlet fission(SF)has potential applications in high-efficiency photo-energy harvesting applications,but its practical application is hindered by the limited number of materials.In this work,we explored the bay aromatic substitution strategy for the design of new perylenediimide(PDI)based SF materials.A series of PDI derivatives with biphenyl or naphthalene units substituted at the bay posi-tions were designed and synthesized to investigate the effects of aromatic substitutes on their photodynamic behaviours.The bay substitutions do not shift the energy level of the PDI core significantly but give rise to different intermolecular coupling strengths in the thin films and affect the intermolecular SF efficiency.Femtosecond transient absorption(fsTA)spectroscopy reveals that appro-priate spacing configuration from the bay aromatic substitution groups enhances the SF yields by promoting the interaction of neighbouring PDI cores.Triplet exciton yields of up to 183%have been obtained from these new PDI derivatives,making them po-tential candidates in future SF-based optoelectronics.

关 键 词：Singlet fission PERYLENEDIIMIDE FEMTOCHEMISTRY Thin films Density functional calculations 

分 类 号：O62[理学—有机化学]