Abstract
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.
Highlights
In recent years, organic luminescent materials have attracted considerable attention due to their practical applications in optoelectronic devices, such as organic light-emitting diodes (OLEDs), organic light-emitting transistors (OLETs), and sensors (Ostroverkhova, 2016; Zhao Z. et al, 2018; Salehi et al, 2019)
A large number of aggregation-induced emission (AIE) luminogens (AIEgens) have been designed and synthesized in recent years, and it opens an avenue to an array of possibilities for their applications in photoelectric (Furue et al, 2016; Liu et al, 2020), medical (Song et al, 2020; Sharath Kumar et al, 2021), environmental (Cheng et al, 2017; Wang et al, 2020), and military (Zhou et al, 2019) fields and so on (Mei et al, 2015)
The luminescent properties of AIEgens are highly environment-dependent, so different molecular models need to be setup according to the relevant environments in experiments, such as the dilute solution, amorphous aggregate, and crystal (Figure 1)
Summary
Beijing Key Laboratory of Photoelectronic/Electrophotonic Conversion Materials, Key Laboratory of Cluster Science of Ministry of Education, Key Laboratory of Medical Molecule Science and Pharmaceutics Engineering, Ministry of Industry and Information Technology, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing, China. Specialty section: This article was submitted to Physical Chemistry and Chemical. 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. We aim to explore the influence of intermolecular noncovalent interactions on molecular packing and their photophysical properties and pave the effective way to design, synthesize, and develop advanced organic luminescent materials
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
