Achieving Spectral Narrowing by Strengthening the Soliton-Like Characteristics through Peripheral Group Substitution in Aromatic Heterocyclic Emitters

作者团队： Wenle Tan, Yue Yu* (通讯作者), Yulong Li, Hanlin Gan, Lei Xu, Mingke Li, Bohan Wang, Lingyu Wang, Xinyu Wang, Lei Ying* (通讯作者), Yuguang Ma* (通讯作者)

通讯作者邮箱：yuyue924@scut.edu.cn (Yue Yu); msleiying@scut.edu.cn (Lei Ying); ygma@scut.edu.cn (Yuguang Ma)

收稿时间：2024年12月 | 录用时间：2025年2月 | 发表时间：2025-03-26

期刊卷期：Angewandte Chemie International Edition, Volume 64, Issue 23, Article ID: e202500235 (2025)

DOI：10.1002/anie.202500235

利益冲突声明：作者声明无利益冲突（The authors declare no conflict of interest.）

数据开放声明：支持本研究结论的数据已收录于文章补充材料中（The data that support the findings of this study are available in the supplementary material of this article.）

The effect of substituents on the spectral behavior of aromatic heterocyclic systems is a significant yet highly complex issue. Inspired by cyanine dyes, it was found that emission spectrum narrowing can be realized by regulating the terminal substituents to enhance the soliton-like characteristics of emitters.

Herein, compared to the parent compound 2AcPh (full-width at half-maximum, FWHM = 0.124 eV), the introduction of fluorobenzene-group substituents in 2AcPh-PhF narrows the emission spectral FWHM to 0.108 eV. Single crystal structures reveal more homogeneous carbon–carbon bond lengths in 2AcPh-PhF compared to 2AcPh. Theoretical calculations show that the charge magnitudes on carbon atoms of 2AcPh-PhF also become homogenized, but the charges on adjacent carbon atoms are opposite.

These results suggest that the soliton-like electronic structural characteristics in 2AcPh-PhF are enhanced after introducing peripheral substituents, which is considered to be the reason for the narrower emission spectrum of 2AcPh-PhF. The sky-blue organic light-emitting diode devices based on 2AcPh-PhF demonstrated a maximum external quantum efficiency of 29.17% and a small electroluminescent spectral FWHM of 25 nm.

spectral narrowing soliton-like characteristics aromatic heterocyclic emitters peripheral group substitution organic light-emitting diodes (OLEDs) external quantum efficiency (EQE)

• National Key R&D Program of China (Grant Number: 2020YFA0714604)
• National Natural Science Foundation of China (Grant Numbers: 52203221, 92463310)
• Guangdong Provincial Quantum Science Strategic Initiative (Grant Number: GDZX2301002)
• Fund of Guangdong Provincial Key Laboratory of Luminescence from Molecular Aggregates (Grant Number: 2023B1212060003)
• Fundamental Research Funds of State Key Laboratory of Luminescent Materials and Devices (Grant Numbers: Skllmd-2023-03, Skllmd-2024-23)
• Science and Technology Projects in Guangzhou (Grant Number: 2024A04J2529)

文件名称：anie202500235-sup-0001-SuppMat.docx

文件大小：2.9 MB

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内容说明：包含目标化合物的合成路线、^{1}H NMR/^{13}C NMR光谱、单晶衍射数据、紫外-可见吸收/荧光光谱、器件制备流程及性能测试原始数据，为研究结论提供完整实验支撑

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文献引用格式：Tan, W., Yu, Y.*, Li, Y., Gan, H., Xu, L., Li, M., Wang, B., Wang, L., Wang, X., Ying, L.*, Ma, Y.* (2025). Achieving Spectral Narrowing by Strengthening the Soliton-Like Characteristics through Peripheral Group Substitution in Aromatic Heterocyclic Emitters. Angew. Chem. Int. Ed., 64(23), e202500235. https://doi.org/10.1002/anie.202500235