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A DFT/TD-DFT Study on the ESIPT-Type Flavonoid Derivatives with High Emission Intensity

To reveal the influence of different substituents on the excited-state intramolecular proton transfer (ESIPT) process and photophysical properties of 4′-N, N-dimethylamino-3-hydroxyflavone (DMA3HF), two novel molecules (DMA3HF-CN and DMA3HF-NH(2)) were designed by introducing the classical electron-...

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Detalles Bibliográficos
Autores principales:	Yu, Xiangrui, Shang, Changjiao, Cao, Yunjian, Cui, Jingang, Sun, Chaofan
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9031961/ https://www.ncbi.nlm.nih.gov/pubmed/35454589 http://dx.doi.org/10.3390/ma15082896

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