Sani Marc-Antoine, Martin Pierre-Alexandre, Yunis Ruhamah, Chen Fangfang, Forsyth Maria, Deschamps Michaël, O'Dell Luke A
School of Chemistry, Bio21 Institute, University of Melbourne , Melbourne, Victoria 3010, Australia.
Institute for Frontier Materials, Deakin University , Geelong, Victoria 3220, Australia.
J Phys Chem Lett. 2018 Mar 1;9(5):1007-1011. doi: 10.1021/acs.jpclett.8b00022. Epub 2018 Feb 13.
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, CmpyrFSI, containing 1.0 m lithium bis(fluorosulfonyl)imide, 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 C-Li 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 Cmpyr that shows remarkably good agreement with a liquid-phase molecular dynamics simulation.
