title: Significant cation effects in carbon dioxide-ionic liquid systems.
abstract: Carbon dioxide-ionic liquid systems are of great current interest, and significant efforts have been made lately to understand the intermolecular interactions in these systems. In general, all the experimental and theoretical studies have concluded so far that the main solute-solvent interaction takes effect through the anion, and the cation has no, or only a secondary role in solvation. In this theoretical approach it is shown that this view is unfounded, and evidence is provided that, similarly to the benzene-CO(2) system, dispersion interactions are present between the solute and the cation. Therefore, this defines a novel site for tailoring solvents to tune CO(2) solubility.
authors.affiliation: Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Universität Leipzig, Germany.
authors.forename: Oldamur
authors.initials: O
authors.lastname: Hollóczki
authors.forename: Zsolt
authors.initials: Z
authors.lastname: Kelemen
authors.forename: László
authors.initials: L
authors.lastname: Könczöl
authors.forename: Dénes
authors.initials: D
authors.lastname: Szieberth
authors.forename: László
authors.initials: L
authors.lastname: Nyulászi
authors.forename: Annegret
authors.initials: A
authors.lastname: Stark
authors.forename: Barbara
authors.initials: B
authors.lastname: Kirchner
mesh_terms: D002245:Carbon Dioxide / Q000737:chemistry*; D052578:Ionic Liquids / Q000737:chemistry*; D011789:Quantum Theory
chemical_list: D052578:Ionic Liquids; D002245:Carbon Dioxide