Tuning Intermolecular Singlet Fission Efficiencies of Perylenediimide Derivatives through Bay Aromatic Substitution
作者机构：State Key Laboratory of Applied Organic ChemistryKey Laboratory of Special Function Materials and Structure DesignCollege of Chemistry and Chemical EngineeringFrontiers Science Center for Rare IsotopesLanzhou UniversityLanzhouGansu 730000China Tianjin Key Laboratory of Molecular Optoelectronic SciencesDepartment of ChemistryTianjin UniversityCollaborative Innovation Center of Chemical Science and Engineering(Tianjin)Tianjin 300072China
出 版 物：《Chinese Journal of Chemistry》 (中国化学（英文版）)
年 卷 期：2023年第41卷第10期
页 面：1170-1176页
核心收录：
学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070303[理学-有机化学] 0703[理学-化学]
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
主 题：Singlet fission Perylenediimide Femtochemistry Thin films Density functional calculations
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 *** 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 *** 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 *** 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 *** exciton yields of up to 183%have been obtained from these new PDI derivatives,making them po-tential candidates in future SF-based optoelectronics.
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