title: 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.
authors.affiliation: REQUIMTE-CQFB, Dep. Química, Fac. Ciências e Tecnologia, UNL, 2829-516 Caparica (Portugal).
authors.forename: Marta C
authors.initials: MC
authors.lastname: Corvo
authors.forename: João
authors.initials: J
authors.lastname: Sardinha
authors.forename: Sonia C
authors.initials: SC
authors.lastname: Menezes
authors.forename: Sandra
authors.initials: S
authors.lastname: Einloft
authors.forename: Marcus
authors.initials: M
authors.lastname: Seferin
authors.forename: Jairton
authors.initials: J
authors.lastname: Dupont
authors.forename: Teresa
authors.initials: T
authors.lastname: Casimiro
authors.forename: Eurico J
authors.initials: EJ
authors.lastname: Cabrita
keywords: CO2 sequestration; NMR spectroscopy; ionic liquids; molecular dynamics