Exploring ESInterPT behaviors of water sensitive probes: 3HF derivative clusters

Journal of Molecular Liquids(2023)

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Abstract
•The excited-state intermolecular proton transfer in 3HF-D-(H2O)1-3 follows concerted mechanism.•The differences in excited-state thermodynamic and kinetics of 3HF-D-(H2O)1-3 clusters results in different sensitivity of 3HF derivative to water.•The water sensitivity is correlated with the excited-state charge transfer degree.
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Key words
water sensitive probes,esinterpt behaviors,clusters
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