Rapid water dynamics structures the OH-stretching spectra of solitary water in ionic liquids and dipolar solvents
S Palchowdhury, K Mukherjee… - The Journal of Chemical …, 2022 - pubs.aip.org
In a recent study [J. Phys. Chem. B 126, 4584–4598 (2022)], we have used infrared
spectroscopy to investigate the solvation and dynamics of solitary water in ionic liquids and
dipolar solvents. Complex shapes observed for water OH-stretching bands, common to all
high-polarity solvents, were assigned to water in several solvation states. In the present
study, classical molecular dynamics simulations of a single water molecule in four ionic
liquids and three dipolar solvents were used to test and refine this interpretation. Consistent …
spectroscopy to investigate the solvation and dynamics of solitary water in ionic liquids and
dipolar solvents. Complex shapes observed for water OH-stretching bands, common to all
high-polarity solvents, were assigned to water in several solvation states. In the present
study, classical molecular dynamics simulations of a single water molecule in four ionic
liquids and three dipolar solvents were used to test and refine this interpretation. Consistent …
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