Solvation properties of silver ions in ionic liquids using attenuated total reflectance ultraviolet spectroscopy

Journal of Molecular Liquids(2022)

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摘要
•Solvation structures of ionic liquids (ILs) surrounding silver ions were experimentally and theoretically studied.•Combination of spectroscopy, multivariate analysis, and molecular dynamics simulations revealed the coordination number.•Opposite peak shift directions of ILs in the ultraviolet region upon additions of Li+ and Ag+ were detected.•The energy levels of the final states were different between Li+-coordinated and Ag+-coordinated ILs.•Electrical interaction between Ag+ and ILs was only within the first solvation layer, differing from the case of Li+.
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关键词
Attenuated total reflectance-ultraviolet spectroscopy,Electronic absorption spectroscopy,Time-dependent density functional theory,Molecular dynamics,Multivariate curve resolution-alternating least squares algorithm,Coordination number,Ionic liquid
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