Structure et dynamique microscopiques dans les mélanges de liquides ioniques à base d’imidazolium et de solvants polaires aprotiques : RMN, spectroscopie Raman et modélisation moléculaire

This thesis presents a multi-technique approach for analysis of the structure and dynamics in the mixtures of ionic liquids (ILs) based on 1-butyl-3-methylimidazolium (Bmim+) cation coupled with perfluorinated anions (BF4−, PF6−, CF3SO3−, (CF3SO2)2N−), on one side, and polar aprotic solvents such as acetonitrile (AN), ), γ-butyrolactone (γ-BL), and propylene carbonate (PC), on the other side. Raman spectroscopy and NMR chemical shift measurements were used to probe changes of electronic density at specific interaction sites of ILs and solvent molecules as a function of mixture composition. Quantum-chemical calculations of the representative configurations were performed to complement the interpenetration of spectral observations. Important changes in the structure and dynamics are observed only at low IL content (xIL