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Probing ionic liquid electrolyte structure via the glassy state by dynamic nuclear polarization NMR spectroscopy
journal contribution
posted on 2018-03-01, 00:00 authored by Marc-Antoine Sani, Pierre-Alexandre Martin, Ruhamah Yunis, Fangfang ChenFangfang Chen, Maria ForsythMaria Forsyth, Michaël Deschamps, Luke O'DellLuke O'DellDynamic 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.
History
Journal
Journal of physical chemistry lettersVolume
9Issue
5Pagination
1007 - 1011Publisher
American Chemical SocietyLocation
Washington, D.C.Publisher DOI
eISSN
1948-7185Language
engPublication classification
C1 Refereed article in a scholarly journalCopyright notice
2018, American Chemical SocietyUsage metrics
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No categories selectedKeywords
Dynamic nuclear polarization (DNP)NMR spectroscopyionic liquid salt solutionglassy stateScience & TechnologyPhysical SciencesTechnologyChemistry, PhysicalNanoscience & NanotechnologyMaterials Science, MultidisciplinaryPhysics, Atomic, Molecular & ChemicalChemistryScience & Technology - Other TopicsMaterials SciencePhysicsATOMIC-FORCE MICROSCOPYMOLECULAR-DYNAMICSNANOSTRUCTUREPYRROLIDINIUMINTERFACESALTS
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