DFT investigation reveals how different solvents influence the ESIPT mechanism in HTpT, suggesting important effects for applications.
The excited-state intramolecular proton transfer (ESIPT) mechanism of 3-(benzo[d]thiazol-2-yl)triphenylene-2-ol (HTpT) in different kinds solvents were calculated, utilizing density functional theory (DFT) and time-dependent density functional theory (TD-DFT). We investigated the...
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Tao et al. (2026) studied this question.
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