Solvation of carbon dioxide in [C4 mim][BF(4)] and [C(4) mim][PF(6)] ionic liquids revealed by high-pressure NMR spectroscopy.

ABSTRACT

Where is CO2 ? The intermolecular interactions of [C4 mim]BF4 and [C4 mim]PF6 ionic liquids and CO2 have been determined by high-pressure NMR spectroscopy in combination with molecular dynamic simulations. The anion and the cation are both engaged in interactions with CO2 . A detailed picture of CO2 solvation in these ILs is provided. CO2 solubility is essentially determined by the microscopic structure of the IL.