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Интеллектуальная Система Тематического Исследования НАукометрических данных |
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Molecules Screening and Electronic Effects Study of N/C=O-based Multiresonance TADF Materials with Narrow Blue Emissionстатья
- Авторы: Aowei Zhou, Zhu Yanan, Guo Zhipeng, Yin Yongming, Utochnikova Valentina, Meng Hong
- Журнал: Chinese Journal of Luminescence
- Год издания: 2024
- Издательство: Chinese Physical Society
- Местоположение издательства: China
- DOI: 10.37188/CJL.20240222
- Аннотация: Based on the advantages of high color purity， multiresonance （MR） delayed fluorescence materials have attracted significant attention for their potential value in high-precision displays. This work took 12，12-dimethyl-4H-benzo［9，1］quinolino［3，4，5，6，7-defg］acridine-4，8（12H）-dione （DQAO） as the core skeleton， introducing sidechain groups with different electronic properties and performing virtual screening and fluorescence performance evaluation on molecular structures. A set of potential molecules with both narrow bands and deep blue emission were designed， and strategy for high-performance luminescent materials based on N/C=O was proposed. This study comprehensively evaluated the emission characteristics such as triplet-singlet energy splitting （ΔEST）， oscillator strength， and wavelength of over 70 candidates via quantum chemical methods. It was found that electron acceptors substituted at the N-position are conducive to enhancing oscillator strength and reducing reorganization energy （Eλ）， which estimates the full width at half maxima （FWHM） of the emission， while electron donors tend to reduce the ΔEST. The results of this study indicate that regulating the electronic properties of N-position substituents will significantly reduce the ΔEST of MR-TADF molecules， effectively enhance their oscillator strength， and achieve the desired emission wavelength， thereby realizing high-performance narrow-band emission characteristics. This study not only provides new molecular design ideas and effective structural data sets for the efficient design of MR-TADF molecules but also lays the theoretical foundation for further optimizing the performance of fluorescent materials based on the advantages of the N-position and the electronic properties of modifying groups.
- Добавил в систему: Уточникова Валентина Владимировна
Прикрепленные файлы
| № | Имя | Описание | Имя файла | Размер | Добавлен |
|---|---|---|---|---|---|
| 1. | заключение о возможности открытого публикования | аовэи.pdf | 29,7 МБ | 22 ноября 2024 [kernelle] | |
| 2. | полный текст | 05b0f6ae-2c51-46ea-b87f-e92ab71b7512.pdf | 1,9 МБ | 11 ноября 2024 [kernelle] |