Phase Behavior and Solvation of Lithium Triflate in Ethylene Carbonate

Presented here are data describing the phase behavior and solvation of lithium trifluoromethanesulfonate (LiTf) in ethylene carbonate (EC). Data obtained from differential scanning calorimetry (DSC), Raman spectroscopy, and X-ray diffraction analyses of sample mixtures are correlated to enhance understanding of solvent-salt associations. Thermal analysis by DSC is converted into a binary phase diagram describing the behavior of the solvent-salt interactions. Raman spectroscopy is applied to probe the liquid electrolyte and discover solvent-salt associations in solution. X-ray crystallography reveals that EC-LiTf form a 1:1 aggregated solvate. Raman spectroscopic analysis of mixtures reveals the presence of two aggregated solvates and one contact ion pair.