Effectively controlling the ESIPT behavior and fluorescence feature of 2-(2′-hydroxyphenyl)-4-chloromethylthiazole by changing its π-conjugation: A theoretical exploration
Journal of Photochemistry and Photobiology A: Chemistry（2022）
Abstract
•MN1 and MN2 reduce the energy gaps due to their π-extended conjugation.•Both MN1 and MN2 red-shift absorption and fluorescence peaks by more than 150 nm.•ESIPT processes in MN1-HCT and MN2-HCT are difficult to happen at low temperature.•MN1-HCT and MN2-HCThave long-wavelength emission peak and large Stokes shift.
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Key words
Excited-state intramolecular proton transfer (ESIPT),TD-DFT,Fluorescence feature,π-conjugation
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