Solvent conditions effect on the excited state intramolecular proton transfer mechanism and photophysical property of 1′-hydroxy-2′-acetonaphthone: A DFT/TD-DFT analysis

Rui Chen,Qiuyue Li,Kai Xu,Jinkang Ma,Xueting Mu,Tianhua Wang,Lifeng Cao,Bing Teng

Journal of Photochemistry and Photobiology A: Chemistry（2023）

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摘要

•The effects of solvent on ESIPT process of HAN are studied by DFT/TD-DFT methods.•The O1–H2⋯O3 hydrogen bond is strengthened upon photoexcitation.•Exploring the influence of solvents on the ESIPT process.

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关键词

1′-Hydroxy-2′-acetonaphthone,Excited state intramolecular proton transfer mechanism,Solvents,DFT,TDDFT

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