title: Influence of the interaction between hydrogen sulfide and ionic liquids on solubility: experimental and theoretical investigation.
abstract: The solubility of H(2)S in a series of 1-butyl-3-methylimidazolium ([bmim](+)) based ionic liquids (ILs) with different anions, chloride, tetrafluoroborate ([BF(4)](-)), hexafluorophosphate ([PF(6)](-)), triflate ([TfO](-)), and bis(trifluoromethyl)sulfonylimide ([Tf(2)N]-), and in a series of [Tf(2)N] ILs with different cations, i.e., N-alkyl-N'-methylimidazolium, 2-methyl-N-methyl-N'-alkyimidazolium, N-alkylpyridinium, N-butyl-N-methylpyrrolidinium, and N-alkyl-N,N-dimethyl-N-(2-hydroxyethyl)ammonium has been determined using medium-pressure NMR spectroscopy. The observed solubilities are significantly higher than those reported for many other gases in ILs, suggesting the occurrence of specific interactions between H2S and the examined ILs. Quantum chemical calculations have been used to investigate at a molecular level the interaction between H2S and the [bmim](+)-based ILs.
authors.affiliation: Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Swizerland. christian.pomelli@gmail.com
authors.forename: Christian Silvio
authors.initials: CS
authors.lastname: Pomelli
authors.forename: Cinzia
authors.initials: C
authors.lastname: Chiappe
authors.forename: Ana
authors.initials: A
authors.lastname: Vidis
authors.forename: Gabor
authors.initials: G
authors.lastname: Laurenczy
authors.forename: Paul J
authors.initials: PJ
authors.lastname: Dyson
mesh_terms: D000838:Anions / Q000737:chemistry; D001881:Borates / Q000737:chemistry; D006862:Hydrogen Sulfide / Q000737:chemistry*; D007093:Imidazoles / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy / Q000379:methods; D008958:Models, Molecular; D011789:Quantum Theory; D012995:Solubility; D013816:Thermodynamics
chemical_list: C412621:1-butyl-3-methylimidazolium hexafluorophosphate; C419324:1-butyl-3-methylimidazolium tetrafluoroborate; D000838:Anions; D001881:Borates; D007093:Imidazoles; C502841:1-butyl-3-methylimidazolium chloride; D006862:Hydrogen Sulfide