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Chemistry in nanoconfined water

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Abstract

Nanoconfined liquids have extremely different properties from the bulk, which profoundly affects chemical reactions taking place in nanosolvation. Here, we present extensive ab initio simulations of a vast set of chemical reactions within a water lamella that is nanoconfined by mineral surfaces, which might be relevant to prebiotic peptide formation in aqueous environments. Our results disclose a rich interplay of distinct effects, from steric factors typical of reactions occurring in small spaces to a charge-stabilization effect in nanoconfined water at extreme conditions similar to that observed in bulk water when changing from extreme to ambient conditions. These effects are found to modify significantly not only the energetics but also the mechanisms of reactions happening in nanoconfined water in comparison to the corresponding bulk regime.

Graphical abstract: Chemistry in nanoconfined water

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Publication details

The article was received on 11 Nov 2016, accepted on 16 Mar 2017 and first published on 20 Mar 2017


Article type: Edge Article
DOI: 10.1039/C6SC04989C
Citation: Chem. Sci., 2017, Advance Article
  • Open access: Creative Commons BY license
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    Chemistry in nanoconfined water

    D. Muñoz-Santiburcio and D. Marx, Chem. Sci., 2017, Advance Article , DOI: 10.1039/C6SC04989C

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