Author, as appears in the article.: Melgar, Dolores; Bandeira, Nuno A. G.; Avalos, Josep Bonet; Bo, Carles;
Department: Química Física i Inorgànica Enginyeria Química
URV's Author/s: Bo Jané, Carles / Bonet Avalos, José
Abstract: Keplerates are a family of anionic metal oxide spherical capsules containing up to 132 metal atoms and some hundreds of oxygen atoms. These capsules holding a high negative charge of −12 coordinate both mono-anionic and di-anionic ligands thus increasing their charge up to −42, even up to −72, which is compensated by the corresponding counter-cations in the X-ray structures. We present an analysis of the relative importance of several energy terms of the coordinate bond between the capsule and ligands like carbonate, sulphate, sulphite, phosphinate, selenate, and a variety of carboxylates, of which the overriding component is contributed by solvation/de-solvation effects.
Thematic Areas: Química Physics, atomic, molecular & chemical Physics and astronomy (miscellaneous) Physics and astronomy (all) Physical and theoretical chemistry Odontología Medicina ii Medicina i Materiais Matemática / probabilidade e estatística Interdisciplinar Geociências General physics and astronomy General medicine Farmacia Ensino Engenharias iv Engenharias iii Engenharias ii Ciências biológicas ii Ciências biológicas i Ciências ambientais Ciências agrárias i Ciência de alimentos Ciência da computação Chemistry, physical Biotecnología Biodiversidade Astronomia / física
licence for use: https://creativecommons.org/licenses/by/3.0/es/
Author's mail: carles.bo@urv.cat josep.bonet@urv.cat
Author identifier: 0000-0001-9581-2922 0000-0002-7339-9564
Record's date: 2024-09-07
Papper version: info:eu-repo/semantics/acceptedVersion
Link to the original source: https://pubs.rsc.org/en/content/articlelanding/2017/cp/c6cp08511c
Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/
Papper original source: Physical Chemistry Chemical Physics. 19 (7): 5343-5350
APA: Melgar, Dolores; Bandeira, Nuno A. G.; Avalos, Josep Bonet; Bo, Carles; (2017). Anions coordinating anions: analysis of the interaction between anionic Keplerate nanocapsules and their anionic ligands. Physical Chemistry Chemical Physics, 19(7), 5343-5350. DOI: 10.1039/c6cp08511c
Article's DOI: 10.1039/c6cp08511c
Entity: Universitat Rovira i Virgili
Journal publication year: 2017
Publication Type: Journal Publications
Repositori URV