Aromaticity Localization Effects in Polycyclic Aromatic Hydrocarbons for Discovering Narrowband Fluorescence Materials DOI
Yimin Wu, Junjie Liu, Ge Yang

et al.

Journal of the American Chemical Society, Journal Year: 2025, Volume and Issue: unknown

Published: May 22, 2025

Achieving narrowband fluorescence in polycyclic aromatic hydrocarbons (PAHs) is crucial for ultrahigh-definition organic light-emitting diodes (UD-OLEDs), yet the underlying structure-property relationships that dictate emission bandwidth remain insufficiently understood. In this study, we introduce aromaticity localization as a predictive framework identifying emitters. Using nucleus-independent chemical shift (NICS) analysis, uncover strong correlation between localized and reduced vibrational coupling, demonstrating restricting π-electron delocalization effectively suppresses shoulder peaks, thereby minimizing spectral broadening. To validate concept, designed new class of imine-amine-type PAHs (IA-PAHs) integrates electron-deficient imine electron-rich amine units, generating multiple-resonance-type electronic structure. Building on steric-hindrance-guided C-H activation strategy, precisely controlled regioselectivity pyridine fusion within triphenylamine framework, leading to discovery red-emitting II-b green-emitting III-c featuring aromaticity. Notably, exhibited an exceptionally red at 660 nm with full width half-maximum only 35 (0.10 eV). OLEDs incorporating demonstrated high efficiency minimal roll-off fully met stringent BT.2020 standard, Commission Internationale de l'Eclairage (CIE) coordinates [0.71, 0.29]. This work not establishes empirical intuitive design principle fluorophores but also represents significant advancement deep-red OLED technology, setting benchmark conventional fluorescent

Language: Английский

Aromaticity Localization Effects in Polycyclic Aromatic Hydrocarbons for Discovering Narrowband Fluorescence Materials DOI
Yimin Wu, Junjie Liu, Ge Yang

et al.

Journal of the American Chemical Society, Journal Year: 2025, Volume and Issue: unknown

Published: May 22, 2025

Achieving narrowband fluorescence in polycyclic aromatic hydrocarbons (PAHs) is crucial for ultrahigh-definition organic light-emitting diodes (UD-OLEDs), yet the underlying structure-property relationships that dictate emission bandwidth remain insufficiently understood. In this study, we introduce aromaticity localization as a predictive framework identifying emitters. Using nucleus-independent chemical shift (NICS) analysis, uncover strong correlation between localized and reduced vibrational coupling, demonstrating restricting π-electron delocalization effectively suppresses shoulder peaks, thereby minimizing spectral broadening. To validate concept, designed new class of imine-amine-type PAHs (IA-PAHs) integrates electron-deficient imine electron-rich amine units, generating multiple-resonance-type electronic structure. Building on steric-hindrance-guided C-H activation strategy, precisely controlled regioselectivity pyridine fusion within triphenylamine framework, leading to discovery red-emitting II-b green-emitting III-c featuring aromaticity. Notably, exhibited an exceptionally red at 660 nm with full width half-maximum only 35 (0.10 eV). OLEDs incorporating demonstrated high efficiency minimal roll-off fully met stringent BT.2020 standard, Commission Internationale de l'Eclairage (CIE) coordinates [0.71, 0.29]. This work not establishes empirical intuitive design principle fluorophores but also represents significant advancement deep-red OLED technology, setting benchmark conventional fluorescent

Language: Английский

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