Author, as appears in the article.: Bandeira, Nuno A. G.; Garai, Somenath; Mueller, Achim; Bo, Carles;
Department: Química Física i Inorgànica
URV's Author/s: Bo Jané, Carles
Keywords: Keplerate Dynamic library Dioxide Capture Ab-initio
Abstract: The mechanism for the hydration of CO2 within a Keplerate nanocapsule is presented. A network of hydrogen bonds across the water layers in the first metal coordination sphere facilitates the proton abstraction and nucleophilic addition of water. The highly acidic properties of the polyoxometalate cluster are crucial for explaining the catalysed hydration.
Thematic Areas: Surfaces, coatings and films Química Metals and alloys Medicina ii Medicina i Materials chemistry Materiais Interdisciplinar General medicine General chemistry Farmacia Engenharias iv Engenharias iii Engenharias ii Engenharias i Electronic, optical and magnetic materials Ciências biológicas iii Ciências biológicas ii Ciências biológicas i Ciências ambientais Ciências agrárias i Chemistry, multidisciplinary Chemistry (miscellaneous) Chemistry (all) Chemistry Ceramics and composites Catalysis Biotecnología Biodiversidade Astronomia / física
licence for use: https://creativecommons.org/licenses/by/3.0/es/
Author's mail: carles.bo@urv.cat
Author identifier: 0000-0001-9581-2922
Record's date: 2024-09-07
Papper version: info:eu-repo/semantics/publishedVersion
Link to the original source: https://pubs.rsc.org/en/content/articlelanding/2015/cc/c5cc06423f
Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/
Papper original source: Chemical Communications. 51 (85): 15596-15599
APA: Bandeira, Nuno A. G.; Garai, Somenath; Mueller, Achim; Bo, Carles; (2015). The mechanism of CO2 hydration: A porous metal oxide nanocapsule catalyst can mimic the biological carbonic anhydrase role. Chemical Communications, 51(85), 15596-15599. DOI: 10.1039/c5cc06423f
Article's DOI: 10.1039/c5cc06423f
Entity: Universitat Rovira i Virgili
Journal publication year: 2015
Publication Type: Journal Publications
Repositori URV