Liquid structure of and Li+ ion solvation in bis(trifluoromethanesulfonyl)amide based ionic liquids composed of 1-ethyl-3-methylimidazolium and N-methyl-N-propylpyrrolidinium cations.

Liquid structures of the bis(trifluoromethanesulfonyl)amide based ionic liquids composed of 1-ethyl-3-methylimidazolium and N-methyl-N-propylpyrrolidinium ([C(2)mIm(+)][TFSA(-)] and [C(3)mPyrro(+)][TFSA(-)], respectively) and Li(+) ion solvation structure in their lithium salt solutions were studied by means of high-energy X-ray diffraction (HEXRD) technique with the aid of MD simulations. With regard to neat ionic liquids, a small but significant difference was found at around 3.5 Å in the intermolecular radial distribution functions G(inter)(r)s for these two ionic liquids; i.

Dependence of the conformational isomerism in 1-n-butyl-3-methylimidazolium ionic liquids on the nature of the halide anion.

The conformational isomerism of the 1-n-butyl-3-methylimidazolium cation, [C(4)mim](+), in halide-based ionic liquids--[C(4)mim]Cl, [C(4)mim]Br, and [C(4)mim]I--was explored by Raman spectroscopy. The [C(4)mim](+) cation exhibits trans-gauche conformational isomerism with respect to the N1-C7-C8-C9 dihedral angle of its butyl chain. The thermodynamics of trans-gauche conversion were analyzed through the successful evaluation of the corresponding Gibbs free energy, Δ(iso)G°, enthalpy, Δ(iso)H°, and entropy, Δ(iso)S°, of conformational isomerization.

Raman spectroscopic studies and ab initio calculations on conformational isomerism of 1-butyl-3-methylimidazolium bis-(trifluoromethanesulfonyl)amide solvated to a lithium ion in ionic liquids: effects of the second solvation sphere of the lithium ion.

Raman spectra of the ionic liquid, 1-butyl-3-methylimidazolium bis-(trifluoromethanesulfonyl)amide [C(4)mIm][TFSA] containing a LiTFSA salt were measured for the lithium salt mole fractions x(Li) = 0.000, 0.053, 0.