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Probing Ionic Liquid Electrolyte Structure via the Glassy State by Dynamic Nuclear Polarization NMR Spectroscopy

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https://figshare.com/articles/dataset/Probing_Ionic_Liquid_Electrolyte_Structure_via_the_Glassy_State_by_Dynamic_Nuclear_Polarization_NMR_Spectroscopy/5881078
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Dynamic nuclear polarization (DNP)-enhanced solid-state NMR spectroscopy has been used to study an ionic liquid salt solution (N-methyl-N-propyl-pyrrolidinium bis­(fluorosulfonyl)­imide, C3mpyrFSI, containing 1.0 m lithium bis­(fluorosulfonyl)­imide, 6LiFSI) in its glassy state at a temperature of 92 K. The incorporation of a biradical to enable DNP signal enhancement allowed the proximities of the lithium to the individual carbon sites on the pyrrolidinium cation to be probed using a 13C–6Li REDOR pulse sequence. Distributions in Li–C distances were extracted and converted into a 3D map of the locations of the Li+ relative to the C3mpyr that shows remarkably good agreement with a liquid-phase molecular dynamics simulation.
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2018-02-12
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