ArticleChemical science2026
Isomeric model molecules: understanding and regulating the emission nature of multiple-resonance thermally activated delayed fluorescence.
Article in Chemical science, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Multi-resonance thermally activated delayed fluorescence (MR-TADF) emitters exhibit high photoluminescence quantum yields and exceptional color purity, driving significant interest in high-performance organic light-emitting diode (OLED) applications. Current strategies for constructing full-color MR-TADF emitters rely on intricate structural designs to regulate emission wavelengths, yet overlook critical photophysical parameters (such as emission maximum, excited-state lifetime, and so on) and obscure fundamental structure-property relationships, impeding precise control over photophysical behaviours. To address this issue, this study adopts a unique isomeric design strategy to reveal the basic emission properties of MR-TADF molecules. By systematically probing subtle connectivity differences within conserved mono-boron and dual-boron-based multi-resonant skeletons, the chemical bonding pattern dependent emission property was investigated. The critical factors affecting emission wavelength and excited-state lifetime have been uncovered. The detailed theoretical analyses provided a reasonable explanation for these results. This study establishes a molecular design strategy for precise optimization of emission properties, offering deep insights to facilitate the development of high-performance MR-TADF materials. Moreover, the exceptional device performance of compounds
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