Author, as appears in the article.: Miro, Pere; Vlaisavljevich, Bess; Gil, Adria; Burns, Peter C.; Nyman, May; Bo, Carles;
Department: Química Física i Inorgànica
URV's Author/s: Bo Jané, Carles
Keywords: Uranyl Uranium Transition-metal Polyoxometalate Peroxides Nanoclusters Nanocapsules Mass-spectrometry Energy Electronic-structure Dft study Density functional theory Crystal-chemistry Counterions Cage clusters Aqueous-solution peroxides nanocapsules density functional theory counterions
Abstract: A wide range of uranyl-peroxide nanocapsules have been synthesized using very simple reactants in basic media; however, little is known about the process to form these species. We have performed a density functional theory study of the speciation of the uranyl ions under different experimental conditions and explored the formation of dimeric species via a ligand exchange mechanism. We shed some light onto the importance of the excess of peroxide and alkali counterions as a thermodynamic driving force towards the formation of larger uranyl-peroxide species.
Thematic Areas: Química Organic chemistry Medicina i Materiais Interdisciplinar General medicine General chemistry Farmacia Engenharias iii Engenharias ii Ciências biológicas iii Ciências biológicas ii Ciências biológicas i Ciências agrárias i Chemistry, multidisciplinary Chemistry (miscellaneous) Chemistry (all) Chemistry 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/acceptedVersion
Link to the original source: https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/chem.201600390
Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/
Papper original source: Chemistry-A European Journal. 22 (25): 8571-8578
APA: Miro, Pere; Vlaisavljevich, Bess; Gil, Adria; Burns, Peter C.; Nyman, May; Bo, Carles; (2016). Self-Assembly of Uranyl-Peroxide Nanocapsules in Basic Peroxidic Environments. Chemistry-A European Journal, 22(25), 8571-8578. DOI: 10.1002/chem.201600390
Article's DOI: 10.1002/chem.201600390
Entity: Universitat Rovira i Virgili
Journal publication year: 2016
Publication Type: Journal Publications
Repositori URV