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• W2940204557 endingPage "4016" @default.
• W2940204557 startingPage "4004" @default.
• W2940204557 abstract "The present work reports new insights into specific interactions in aqueous solutions of the ionic liquid (IL) 1-ethyl-3-methylimidazolium trifluoromethanesulfonate (C2mimTfO). A systematic investigation based on a combination of Raman spectroscopy and density functional theory (DFT) calculations shows evidence of self-encapsulation of the ionic moiety. Raman spectroscopy reveals preferred interactions between water molecules and the TfO– anions. The comparison of the experimental results with dispersion-corrected DFT calculations, which yield the predictions of the possible conformers of the cation–water, anion–water, and cation–anion–water structures, strongly supports the hypotheses of site-selective IL/water interactions. The obtained results allow for a detailed discussion of the nature and strength of the molecular interactions. It is shown that the TfO– anion establishes a preferred interaction with water, whereas the vibrational band at 3118 cm–1 for C–H motion at the C(2) position, the most acidic site for cation and anion interaction, does not indicate any specific energy shift, when adding water to the IL. This finding gives evidence for a self-protective microstructure of the molecules of C2mimTfO in an aqueous environment. In contrast to other ILs reported in the literature, there is no evidence of an increasing cation–anion distance in the IL ion-pair when increasing the water content. Instead, the C2mimTfO molecules undergo a perfect rearrangement, allowing interactions at other molecular sites with higher selectivity. A direct exposure to water at the cation–anion interacting site (C(2) position) is avoided. Ultimately, we show that clusters of ion-pair dimers solvated with water exhibit a more stable geometry compared to the hydrated single ion-pairs, and our calculations correctly reproduce the experimental findings." @default.
• W2940204557 created "2019-04-25" @default.
• W2940204557 creator A5003589984 @default.
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• W2940204557 date "2019-04-15" @default.
• W2940204557 modified "2023-10-16" @default.
• W2940204557 title "Interplay of Different Moieties in the Binary System 1-Ethyl-3-methylimidazolium Trifluoromethanesulfonate/Water Studied by Raman Spectroscopy and Density Functional Theory Calculations" @default.
• W2940204557 cites W1600292521 @default.
• W2940204557 cites W1883779550 @default.
• W2940204557 cites W1964172351 @default.
• W2940204557 cites W1967133287 @default.
• W2940204557 cites W1971275758 @default.
• W2940204557 cites W1977854765 @default.
• W2940204557 cites W1978294473 @default.
• W2940204557 cites W1980946853 @default.
• W2940204557 cites W1981630333 @default.
• W2940204557 cites W1989166407 @default.
• W2940204557 cites W1991010825 @default.
• W2940204557 cites W1992626793 @default.
• W2940204557 cites W1992837432 @default.
• W2940204557 cites W1996861650 @default.
• W2940204557 cites W1999451860 @default.
• W2940204557 cites W2004704676 @default.
• W2940204557 cites W2014469182 @default.
• W2940204557 cites W2018030636 @default.
• W2940204557 cites W2022418904 @default.
• W2940204557 cites W2024525517 @default.
• W2940204557 cites W2024979176 @default.
• W2940204557 cites W2029916629 @default.
• W2940204557 cites W2031692803 @default.
• W2940204557 cites W2032475344 @default.
• W2940204557 cites W2036254835 @default.
• W2940204557 cites W2037742656 @default.
• W2940204557 cites W2040020956 @default.
• W2940204557 cites W2041049285 @default.
• W2940204557 cites W2046527774 @default.
• W2940204557 cites W2049976904 @default.
• W2940204557 cites W2053010217 @default.
• W2940204557 cites W2053200789 @default.
• W2940204557 cites W2053204944 @default.
• W2940204557 cites W2062839968 @default.
• W2940204557 cites W2063407634 @default.
• W2940204557 cites W2064427738 @default.
• W2940204557 cites W2069684069 @default.
• W2940204557 cites W2072954551 @default.
• W2940204557 cites W2079104490 @default.
• W2940204557 cites W2084098870 @default.
• W2940204557 cites W2085024444 @default.
• W2940204557 cites W2085444063 @default.
• W2940204557 cites W2085915835 @default.
• W2940204557 cites W2086713708 @default.
• W2940204557 cites W2087300528 @default.
• W2940204557 cites W2087606762 @default.
• W2940204557 cites W2088379574 @default.
• W2940204557 cites W2089398473 @default.
• W2940204557 cites W2093873473 @default.
• W2940204557 cites W2106639712 @default.
• W2940204557 cites W2112850441 @default.
• W2940204557 cites W2114911313 @default.
• W2940204557 cites W2120656997 @default.
• W2940204557 cites W2121781138 @default.
• W2940204557 cites W2136581240 @default.
• W2940204557 cites W2143263741 @default.
• W2940204557 cites W2156299576 @default.
• W2940204557 cites W2165343820 @default.
• W2940204557 cites W2165823633 @default.
• W2940204557 cites W2270662855 @default.
• W2940204557 cites W2314083795 @default.
• W2940204557 cites W2318852456 @default.
• W2940204557 cites W2319795476 @default.
• W2940204557 cites W2321760921 @default.
• W2940204557 cites W2328531738 @default.
• W2940204557 cites W2471827812 @default.
• W2940204557 cites W2480785245 @default.
• W2940204557 cites W2602622781 @default.
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• W2940204557 doi "https://doi.org/10.1021/acs.jpcb.9b00066" @default.
• W2940204557 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30986056" @default.
• W2940204557 hasPublicationYear "2019" @default.
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