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By combining high\u2010pressure NMR spectroscopy measurements with molecular dynamics simulations, a full description of the molecular interactions that take place in the IL\u2013CO<jats:sub>2<\/jats:sub> mixtures can be obtained. The introduction of a methyl group has a significant effect on CO<jats:sub>2<\/jats:sub> solubility in comparison with linear or fluorinated analogues. The differences in CO<jats:sub>2<\/jats:sub> solubility arise from differences in liquid organization caused by structural changes in the cation. ILs with branched cations have similar short\u2010range cation\u2013anion orientations as those in ILs with linear side chains, but present differences in the long\u2010range order. The introduction of CO<jats:sub>2<\/jats:sub> does not cause perturbations in the former and benefits from the differences in the latter. Branching at the cation results in sponge\u2010like ILs with enhanced capabilities for CO<jats:sub>2<\/jats:sub> capture.<\/jats:p>","DOI":"10.1002\/cssc.201500104","type":"journal-article","created":{"date-parts":[[2015,4,27]],"date-time":"2015-04-27T22:36:54Z","timestamp":1430174214000},"page":"1935-1946","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":86,"title":["A Rational Approach to CO<sub>2<\/sub> Capture by Imidazolium Ionic Liquids: Tuning CO<sub>2<\/sub> Solubility by Cation Alkyl Branching"],"prefix":"10.1002","volume":"8","author":[{"given":"Marta 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