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The stability of this anion is dependent on the dielectric constant of the local environment (polarity\u2010switchable solvent): it is stable in low\u2010polarity media and unstable in high\u2010polarity solvents; hence, capturing and then releasing CO<jats:sub>2<\/jats:sub>. The possibility of extending such behaviour to other anions is explored herein. Specifically, the CO<jats:sub>2<\/jats:sub> capture process is studied for 26 anions in the gas phase and 3 distinct solvents (water, tetrahydrofuran, and toluene) by using the polarisable continuum model. Calculations are performed with the M06\u20102X and B3LYP\u2010D3 density functionals and the aug\u2010cc\u2010pVTZ basis set. The design of new CO<jats:sub>2<\/jats:sub> complexes with the anion, which can be formed or destroyed on demand by changing the solvent, is possible; the results for the alkoxylate and thiolate anions are especially promising. The nature of the substituents connected to the atom that bonds to CO<jats:sub>2<\/jats:sub> in the anion is crucial in modulating the relative stability of the products\u2014a key point for reversibility in the CO<jats:sub>2<\/jats:sub> capture process. A moderate interaction for the anion\u2013CO<jats:sub>2<\/jats:sub> adduct\u2014about 10\u2005kcal\u2009mol<jats:sup>\u22121<\/jats:sup> relative free energy with respect to the isolated reactants in the gas phase\u2014and a relevant effect in the dielectric constant of the local environment are also key ingredients to achieve solvent dependency.<\/jats:p>","DOI":"10.1002\/chem.201602538","type":"journal-article","created":{"date-parts":[[2016,8,12]],"date-time":"2016-08-12T07:23:54Z","timestamp":1470986634000},"page":"14056-14063","source":"Crossref","is-referenced-by-count":13,"title":["Carbon Dioxide Capture and Release by Anions with Solvent\u2010Dependent Behaviour: A Theoretical Study"],"prefix":"10.1002","volume":"22","author":[{"given":"Miquel","family":"Torrent\u2010Sucarrat","sequence":"first","affiliation":[{"name":"Departamento de Qu\u00edmica and Centro de Qu\u00edmica Universidade de Coimbra  3004-535 Coimbra Portugal"}]},{"given":"Ant\u00f3nio J. 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