ArticleAngewandte Chemie (International ed. in English)2026
Non-Benzenoid π-Electronic Perturbation Enables Frontier-Orbital Symmetry Reconstruction in Ultra-Narrowband Organic Luminophores.
Article in Angewandte Chemie (International ed. in English), 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
Organic luminophores with ultra-narrow full widths at half-maximum (FWHMs) are highly demanding for high-definition displays; however, the current strategies, including bond-length homogenization and multiple-resonance effects, often suffer from limited molecular design flexibility. Herein, we present a new series of ultra-narrow organic luminophores by incorporating an antiaromatic cyclobutadiene motif into nitrogen-containing polycyclic aromatic hydrocarbons. Theoretical simulations show that the fused four-membered rings introduce a non-benzenoid π-electronic perturbation, which reconstructs the frontier-orbital symmetry. This reconstruction suppresses intrinsic bonding-antibonding transition character, affording an exceptionally narrow FWHM of 10.3 nm (in dilute toluene) and a near-unity photoluminescence quantum yield (PLQY ≈ 100%). In addition, weak-aromaticity-mediated two-dimensional (2D) π-conjugation extension not only enhances luminescence efficiency but also affords sufficient chemical robustness compatible with vacuum evaporation process. Organic electroluminescent (EL) devices incorporating these CBD-embedded emitters exhibit high performance, with a maximum current efficiency surpassing 30.0 cd A
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