Conditions Extrêmes et Matériaux : Haute Température et Irradiation

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A.Sani, P.A.Martin, R.Yunis, F.Chen, M.Forsyth, M.Deschamps, L.O'Dell, 'Probing ionic liquid electrolyte structure in the glassy state by DNP NMR spectroscopy', J. Phys. Chem. Lett. 9 1007-1011 (2018) doi:10.1021/acs.jpclett.8b00022

Dynamic nuclear polarisation (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 LiFSI) 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 most probable locations of the Li+ relative to the C3mpyr, and show remarkably good agreement with liquid-phase molecular dynamics simulations.