Cation−Anion−CO2 Interactions in Imidazolium-Based Ionic Liquid Sorbents
| Autor: | Hubert Stassen, Graciane Marin, Jairton Dupont, Anne-Lise Girard, Marcileia Zanatta, Jessé Neumann, Nathalia M. Simon |
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| Rok vydání: | 2018 |
| Předmět: |
Inorganic chemistry
Sorption 02 engineering and technology Covalent Interaction 010402 general chemistry 021001 nanoscience & nanotechnology Mole fraction 01 natural sciences Atomic and Molecular Physics and Optics 0104 chemical sciences Ion chemistry.chemical_compound Malonate chemistry Physisorption Ionic liquid Carboxylate Physical and Theoretical Chemistry 0210 nano-technology |
| Zdroj: | ChemPhysChem. 19:2879-2884 |
| ISSN: | 1439-4235 |
| DOI: | 10.1002/cphc.201800751 |
| Popis: | A series of functionalized N-alkylimidazolium based ionic liquids (ImILs) were designed, through anion (carboxylates and halogenated) and cation (N-alkyl side chains) structural modifications, and studied as potential sorbents for CO2 . The sorption capacities of as prepared bare ImILs could be enhanced from 0.20 to 0.60 molar fraction by variation of cation-anion-CO2 and IL-CO2 -water interaction. By combining NMR spectroscopy with molecular dynamics simulations, a good description of interactions between ImIL and CO2 can be obtained. Three types of CO2 sorption modes have been evidenced depending on the structure of the ImIL ion pair: Physisorption, formation of bicarbonate, and covalent interaction through the nucleophilic addition of CO2 to the cation or anion. The highest CO2 sorption capacity was observed with the ImIL containing the 1-n-butyl-3-methylimidazolium cation associated with the carboxylate anions (succinate and malonate). This study provides helpful clues for better understanding the structure-activity relationship of this class of materials and the ion pair influence on CO2 capture. |
| Databáze: | OpenAIRE |
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