TDDFT investigation of solvent polarity related excited state intramolecular proton transfer in 2-(4′-hydroxyphenyl)-3-hydroxybenzo[g]quinolone

Jinfeng Zhao,Lu Feng,Liming Fan,Hao Dong

Chemical Physics（2023）

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摘要

•S1-state enhancement of hydrogen bond of 2HP3HBQ promotes ESIPT process.•Photo-induced ICT and charge redistribution facilitate ESIPT reaction.•Nonpolar solvent surroundings are more favorable for ESIPT of 2HP3HBQ fluorophore.

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关键词

Hydrogen bond,Frontier molecular orbital,ESIPT,Potential energy surfaces,Solvent polarity

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