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

Near‐Infrared Multiple‐Resonance Polycyclic Aromatic Hydrocarbon as Type I Photosensitizer Toward High‐Performance Synergistic Phototherapy DOI
Yulong Shi, Wei Yang, He Zhang

et al.

Advanced Functional Materials, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 23, 2025

Abstract Type I photosensitization is of particular significance in the anaerobic tumor treatment. Nonetheless, development high‐performance type photosensitizers (PSs) remains challenging, due to weak absorption and inefficient intersystem crossing (ISC) progress. Herein, an effective approach toward a near‐infrared (NIR) PS ( NIR‐BN ) demonstrated using boron/nitrogen‐embedded polycyclic aromatic hydrocarbon with multiple‐resonance (MR) character, for first time. A small singlet‐triplet splitting (Δ E ST = 0.09 eV) high molar extinction coefficient (3.3 × 10 4 M −1 cm NIR MR‐configured supports efficient ISC triplet sensitization. The distorted molecular configurations induce multi‐model structural relaxations after optical excitation, resulting remarkable photothermal conversion efficiency exceeding 50% nanoparticles. Of note, nanoparticles are capable generating highly toxic superoxide anion radical (O 2 •− under 660 nm laser irradiation, benefiting from vigorous intramolecular dihedral angle vibrations excited states. Consequently, biocompatible demonstrates superior performance vivo synergistic photodynamic therapies.

Language: Английский

Citations

0
The critical role of the small singlet-triplet energy gap in heavy-atom containing TADF emitters for high performance electroluminescence DOI

Zhengqi Xiao,

Yang Zou,

Yan‐Yun Jing

et al.

Dyes and Pigments, Journal Year: 2025, Volume and Issue: unknown, P. 112752 - 112752

Published: March 1, 2025

Language: Английский

Citations

0
Comprehensive Review on the Structural Diversity and Versatility of Multi-Resonance Fluorescence Emitters: Advance, Challenges, and Prospects toward OLEDs DOI Creative Commons
Xiugang Wu,

Songqian Ni,

Chih‐Hsing Wang

et al.

Chemical Reviews, Journal Year: 2025, Volume and Issue: unknown

Published: May 9, 2025

Fluorescence emitters with a multiple-resonant (MR) effect have become research hotspot. These MR mainly consist of polycyclic aromatic hydrocarbons boron/nitrogen, nitrogen/carbonyl, and indolocarbazole frameworks. The staggered arrangement the highest occupied molecular orbital lowest unoccupied facilitates MR, resulting in smaller internal reorganization energy narrower emission bandwidth. Optimal charge separation suppresses gap between singlet triplet excited states, favoring thermally activated delayed fluorescence (TADF). MR-TADF materials, due to color purity high efficiency, are excellent candidates for organic light-emitting diodes. Nevertheless, significant challenges remain; particular, limitation imposed by alternated core configuration hinders their diversity versatility. Most existing materials concentrated blue-green range, only few red near-infrared spectra. This review provides timely comprehensive screening from pioneering work present. Our goal is gain understandings structure-performance relationship both basic advanced perspectives. Special emphasis placed on exploring correlations chemical structure, photophysical properties electroluminescent performance depth breadth an aim promote future development emitters.

Language: Английский

Citations

0
Effect of Hydrogen Bonding on Ultrafast Intersystem Crossing in 7-Diethylaminothiocoumarin DOI
Abhijit Dutta, Suman Bhowmik, Sujit Kumar Ghosh

et al.

The Journal of Physical Chemistry A, Journal Year: 2025, Volume and Issue: unknown

Published: May 13, 2025

Thiocarbonyls exhibit unique photophysical properties, characterized by rapid intersystem crossing (ISC) due to favorable singlet-triplet energetics and enhanced spin-orbit coupling. However, the role of hydrogen bonding in modulating ISC remains underexplored. This study investigates effect solvent-solute on dynamics 7-(diethylamino)-4-methyl-2-sulfanylidene-2H-chromen-2-one (thiocoumarin 1, TC1) using steady-state time-resolved spectroscopy, complemented theoretical calculations. Experimental data reveal that methanol, leads increased fluorescence quantum yield, prolonged singlet-state lifetime, reduced triplet yield compared aprotic acetonitrile. Time-resolved spectroscopy identifies an additional long-lived emissive singlet state attributed a hydrogen-bonded state, which slows ISC. Theoretical calculations demonstrate alters electronic structure constrains along key nuclear coordinates, including C═S bond vibration dihedral angles, leading decreased formation. These findings provide mechanistic insights into hydrogen-bonding-mediated control thiocoumarins, with implications for designing functional materials tunable properties.

Language: Английский

Citations

0
Non-planar Boron-Oxygen Multiple Resonance Thin-Film Fluorescent Sensor for High-Performance Vapor Phase BTEX Detection DOI
Wenya Wang, Jiaman Li, Jianting Liu

et al.

Sensors and Actuators B Chemical, Journal Year: 2025, Volume and Issue: unknown, P. 137986 - 137986

Published: May 1, 2025

Language: Английский

Citations

0
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

Citations

0