Progress on Exploring the Luminescent Properties of Organic Molecular Aggregates by Multiscale Modeling

Luminescent molecular aggregates have attracted worldwide attention because of their potential applications in many fields. The luminescent properties of organic aggregates are complicated and highly morphology-dependent, unraveling the intrinsic mechanism behind is urgent. This review summarizes re...

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Bibliographic Details
Published in:Frontiers in chemistry 2022-01, Vol.9, p.808957-808957
Main Authors: Zhao, Jingyi, Zheng, Xiaoyan
Format: Article
Language:English
Subjects:
aggregation effect
aggregation-induced emission
Chemistry
multiscale modeling
non-covalent interactions
structure–property relationship
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Summary:Luminescent molecular aggregates have attracted worldwide attention because of their potential applications in many fields. The luminescent properties of organic aggregates are complicated and highly morphology-dependent, unraveling the intrinsic mechanism behind is urgent. This review summarizes recent works on investigating the structure-property relationships of organic molecular aggregates at different environments, including crystal, cocrystal, amorphous aggregate, and doped systems by multiscale modeling protocol. We aim to explore the influence of intermolecular non-covalent interactions on molecular packing and their photophysical properties and then pave the effective way to design, synthesize, and develop advanced organic luminescent materials.
ISSN:2296-2646
2296-2646
DOI:10.3389/fchem.2021.808957