Design and synthesis of a carbonyl–nitrogen multi-resonance thermally activated delayed fluorophore with enhanced charge transfer for electroluminescence application

IF 4.6 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-07-21 DOI:10.1016/j.saa.2025.126728

Chengxiang Shi , Ya-Rong Gong , Jia-Ming Jin , Yu-Kang Li , Yan Li , Lin-Na Qi , Ji-Hua Tan , Yuan Liu , Yanping Huo , Wen-Cheng Chen

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Abstract

By employing an “intramolecular lock” strategy, a novel multi-resonance thermally activated delayed fluorescence (MR-TADF) emitter, QAO-PhIDA, has been designed through modulating the excited-state properties of the QAO acceptor using a steric hindrance donor PhIDA. The appropriate electron donor facilitates effective intramolecular charge transfer (ICT), while retaining the MR-TADF characteristics. Additionally, the presence of the bulky donor effectively suppresses the aggregation-caused quenching (ACQ) behavior caused by long-range π-π stacking of the QAO chromophore, which is beneficial for achieving efficient luminescence under solid-state conditions. The QAO-PhIDA emitter exhibits an emission wavelength (λ_PL) of 489 nm with a narrow FWHM of 33 nm. The organic light-emitting diodes (OLEDs) device based on QAO-PhIDA achieves a maximum external quantum efficiency (EQE_max) of 18.0 %, which is a pre-eminently promising candidate for applications in OLEDs.

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电致发光用羰基-氮多共振热激活延迟荧光团的设计与合成

通过采用“分子内锁”策略，利用位阻给体PhIDA调节QAO受体的激发态特性，设计了一种新型的多共振热激活延迟荧光（MR-TADF）发射器QAO-PhIDA。合适的电子供体有助于有效的分子内电荷转移（ICT），同时保留MR-TADF特性。此外，大体积供体的存在有效地抑制了QAO发色团长距离π-π堆积引起的聚集引起的猝灭（ACQ）行为，这有利于在固态条件下实现高效发光。QAO-PhIDA发射体的发射波长（λPL）为489 nm， FWHM为33 nm。基于QAO-PhIDA的有机发光二极管器件实现了18.0%的最大外量子效率（EQEmax），是一个非常有前途的有机发光二极管器件。

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来源期刊

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 物理-光谱学

CiteScore

8.40

自引率

11.40%

发文量

1364

审稿时长

40 days

期刊介绍： Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (SAA) is an interdisciplinary journal which spans from basic to applied aspects of optical spectroscopy in chemistry, medicine, biology, and materials science. The journal publishes original scientific papers that feature high-quality spectroscopic data and analysis. From the broad range of optical spectroscopies, the emphasis is on electronic, vibrational or rotational spectra of molecules, rather than on spectroscopy based on magnetic moments. Criteria for publication in SAA are novelty, uniqueness, and outstanding quality. Routine applications of spectroscopic techniques and computational methods are not appropriate. Topics of particular interest of Spectrochimica Acta Part A include, but are not limited to: Spectroscopy and dynamics of bioanalytical, biomedical, environmental, and atmospheric sciences, Novel experimental techniques or instrumentation for molecular spectroscopy, Novel theoretical and computational methods, Novel applications in photochemistry and photobiology, Novel interpretational approaches as well as advances in data analysis based on electronic or vibrational spectroscopy.