Cation−Anion−CO2 Interactions in Imidazolium‐Based Ionic Liquid Sorbents
作者： Nathalia M Simon , Marcileia Zanatta , Jesse Neumann , Anne‐Lise Girard , Graciane Marin
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摘要: A series of functionalized N-alkylimidazolium based ionic liquids (ImILs) were designed, through anion (carboxylates and halogenated) cation (N-alkyl side chains) structural modifications, studied as potential sorbents for CO2 . The sorption capacities prepared bare ImILs could be enhanced from 0.20 to 0.60 molar fraction by variation cation-anion-CO2 IL-CO2 -water interaction. By combining NMR spectroscopy with molecular dynamics simulations, a good description interactions between ImIL can obtained. Three types modes have been evidenced depending on the structure ion pair: Physisorption, formation bicarbonate, covalent interaction nucleophilic addition or anion. highest capacity was observed containing 1-n-butyl-3-methylimidazolium associated carboxylate anions (succinate malonate). This study provides helpful clues better understanding structure-activity relationship this class materials pair influence capture.
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