Li Baoxi, Qu Yadong, Lou Jingli, Liu Lu, Huang Yu, Zhang Han, Tang Ben Zhong, Wang Zhiming
State Key Laboratory of Luminescent Materials and Devices, Guangdong Provincial Key Laboratory of Luminescence from Molecular Aggregates, Center for Aggregation-Induced Emission, AIE Institute, South China University of Technology, Guangzhou, 510640, China.
Department of Chemistry and the Hong Kong Branch of Chinese National Engineering Research Center for Tissue Restoration and Reconstruction, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong, 999077, China.
Angew Chem Int Ed Engl. 2025 Jul 28;64(31):e202506504. doi: 10.1002/anie.202506504. Epub 2025 May 30.
Developing new polycyclic aromatic hydrocarbons (PAHs) skeletons with narrowband emission is crucial for advancing ultra-high-definition displays. Inspired by the aesthetic configuration of negatively curved octagonal rings and the multiple resonance (MR) effect, we designed a novel diaza-octagon heterocycle fused with PAHs, abbreviated as 8NN, and its phenyl-substituted derivative 8NNP. Crystal data and theoretical calculations show that their peripheral PAHs exhibit significant rigidity, while the internal diaza-octagon ring confers skeleton flexibility and flipping properties. Notably, owing to the strategic embedding and unique bonding form of nitrogen atoms, their MR effect is significantly enhanced. Finally, 8NN and 8NNP achieve deep-blue emission peaking at 408 and 411 nm, with remarkably narrow full-width at half-maximum (FWHM) of 19 and 17 nm, respectively, and aggregation-enhanced emission characteristics. Additionally, to further tune emission range of this new skeleton, boron-functionalized 8NNB was synthesized, achieving blue emission peaking at 461 nm in toluene, with a FWHM of 31 nm. Finally, the OLEDs based on 8NNP and 8NNB exhibit maximum external quantum efficiencies of 3.47% and 24.24%, with CIE coordinates of (0.172, 0.043) and (0.132, 0.256), respectively. These results validate the rational design of the novel skeleton and facilitate the development of narrowband emission materials.
开发具有窄带发射的新型多环芳烃（PAHs）骨架对于推进超高清显示器至关重要。受负曲率八角环美学构型和多重共振（MR）效应的启发，我们设计了一种与PAHs稠合的新型二氮杂八元环杂环，简称为8NN，及其苯基取代衍生物8NNP。晶体数据和理论计算表明，它们的外围PAHs表现出显著的刚性，而内部二氮杂八元环赋予骨架灵活性和翻转特性。值得注意的是，由于氮原子的策略性嵌入和独特的键合形式，它们的MR效应显著增强。最后，8NN和8NNP实现了分别在408和411 nm处达到峰值的深蓝色发射，半高宽（FWHM）分别窄至19和17 nm，并且具有聚集增强发射特性。此外，为了进一步调节这种新骨架的发射范围，合成了硼功能化的8NNB，在甲苯中实现了在461 nm处达到峰值的蓝色发射，FWHM为31 nm。最后，基于8NNP和8NNB的有机发光二极管（OLED）分别表现出3.47%和24.24%的最大外量子效率，CIE坐标分别为（0.172, 0.043）和（0.132, 0.256）。这些结果验证了新型骨架的合理设计，并促进了窄带发射材料的发展。
