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Aggregation-induced intersystem crossing: a novel strategy for efficient molecular phosphorescence
Li Yang1, Xijun Wang1, Guozhen Zhang1
1Hefei National Laboratory for Physical Sciences at the Microscale, Collaborative Innovation Center of Chemistry for Energy Materials, CAS Key Laboratory of Mechanical Behavior and Design of Materials (LMBD), School of Chemistry and Materials Science, University of Science and Technology of China, Hefei, Anhui 230026, P. R. China. jiangj1@ustc.edu.cn.
We discovered a new mechanism called aggregation-induced intersystem crossing (AI-ISC) that enhances molecular phosphorescence. This AI-ISC process improves energy transfer in aggregated fluorescent dyes, leading to tunable emission wavelengths.
Area of Science:
- Materials Science
- Photochemistry
- Organic Electronics
Background:
- Aggregation-caused quenching (ACQ) and aggregation-induced emission (AIE) are established polymer luminescence mechanisms.
- Existing mechanisms limit the design space for luminescent materials.
Purpose of the Study:
- To introduce and explore a novel luminescence mechanism: aggregation-induced intersystem crossing (AI-ISC).
- To demonstrate AI-ISC's potential for enhancing phosphorescence and tuning emission wavelengths in aggregated dye systems.
Main Methods:
- Theoretical investigation using first-principles calculations.
- Experimental validation of AI-ISC in aggregated fluorescent dye systems.
Main Results:
- First-principles calculations predicted enhanced intersystem crossing (ISC) rates upon aggregation.
- Experimental results confirmed that AI-ISC promotes molecular phosphorescence in aggregated dyes.
- Aggregation-induced red shift in emission spectra was observed, enabling wavelength tuning.
Conclusions:
- The proposed AI-ISC mechanism offers an alternative pathway for designing luminescent materials.
- AI-ISC provides a new strategy for controlling phosphorescence and emission color.
- This mechanism could advance applications in emerging luminescent material technologies.
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