ArticleNature communications2026
Isomer design unlocks rainbow phosphorescence.
Article in Nature communications, 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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7 authors.
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Abstract
Achieving predictable color-tunable organic room-temperature phosphorescence (RTP) remains challenging due to limited understanding of triplet-state regulation in heteroaromatic systems. Carbazole and benzindole isomers provide an ideal platform to clarify how nitrogen positional isomerism governs triplet exciton behavior and emission energetics. Here, we establish a unified comparative framework to systematically investigate carbazole together with Bd[f], Bd[e], and Bd[g]. Nitrogen-site modulation within the fused tricyclic skeleton generates distinct red, yellow, green, and blue phosphorescence, while mechanochemical solvent-free synthesis enables scalable preparation of previously inaccessible benzindole isomers. Photophysical measurements combined with DFT/TD-DFT calculations, single-crystal analysis, and interaction region indicator theory reveal that positional isomerism controls exciton localization, triplet stabilization, and nonradiative decay independent of the host matrix. Here, we show that isomer-regulated triplet dynamics enable full-spectrum RTP, ultralong lifetimes up to 4.23 s, TSFRET behavior, and matrix-universal multifunctionality, establishing a general molecular design principle for rainbow-like organic phosphorescent materials.
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