Molecular mechanism of aggregation-induced emission

作     者：Qian Peng Zhigang Shuai 

作者机构：School of Chemical SciencesUniversity of Chinese Academy of SciencesBeijingChina Kay Laboratory of Organic Solids and Beijing National Laboratory for Molecular ScienceInstitute of ChemistryChinese Academy of SciencesBeijingChina MOE Key Laboratory of Organic OptoElectronics and Molecular EngineeringDepartment of ChemistryTsinghua UniversityBeijingChina 

出 版 物：《Aggregate》 (聚集体（英文）)

年 卷 期：2021年第2卷第5期

页      面：151-170页

核心收录：

学科分类：07[理学] 070202[理学-粒子物理与原子核物理] 0702[理学-物理学] 

基　　金：National Natural Science Foundation of China,Grant/Award Numbers:21788102,21973099,21973043 Ministry of Science andTechnology of China NationalKeyR&DPlan,Grant/Award Number:2017YFA0204501 

主　　题：aggregation-induced emission dipole-allowed bright state minimum energy crossing point nonradiative decay vibration relaxation 

摘      要：Deep understanding of the inherent luminescence mechanism is essential for the development of aggregation-induced emission(AIE)materials and *** first note that the intermolecular excitonic coupling is much weaker in strength than the intramolecular electron-vibration coupling for a majority of newly termed AIEgens,which leads to the emission peak position insensitive to excitonic coupling,hence the conventional excitonic model for J-aggregation cannot effectively explain their AIE ***,using multiscale computational approach coupled with our self-developed thermal vibration correlation function rate formalism and transition-state theory,we quantitatively investigate the aggregation effect on both the radiative and the nonradiative decays of molecular excited *** radiative decay processes,we propose that the lowest excited state could convert from a transition dipole-forbidden“darkstate to a dipole-allowed“brightstate upon *** the radiationless processes,we demonstrate the blockage of nonradiative decay via vibration relaxation(BNR-VR)in harmonic region or the removal of nonradiative decay via isomerization(RNR-ISO)or minimum energy crossing point(RNR-MECP)beyond harmonic region in a variety of AIE *** theoretical work not only justifies a plethora of experimental results but also makes reliable predictions on molecular design and mechanism that can be experimentally *** forward,we believe this review will benefit the deep understanding about the universality of AIE phenomenon and further extending the scope of AIE systems with novel applications.