Articles producció científica> Química Física i Inorgànica

Anions coordinating anions: analysis of the interaction between anionic Keplerate nanocapsules and their anionic ligands

  • Datos identificativos

    Identificador: imarina:5130907
    Autores:
    Melgar, DoloresBandeira, Nuno A. G.Avalos, Josep BonetBo, Carles
    Resumen:
    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.
  • Otros:

    Autor según el artículo: Melgar, Dolores; Bandeira, Nuno A. G.; Avalos, Josep Bonet; Bo, Carles;
    Departamento: Química Física i Inorgànica Enginyeria Química
    Autor/es de la URV: Bo Jané, Carles / Bonet Avalos, José
    Resumen: 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.
    Áreas temáticas: 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
    Acceso a la licencia de uso: https://creativecommons.org/licenses/by/3.0/es/
    Direcció de correo del autor: carles.bo@urv.cat josep.bonet@urv.cat
    Identificador del autor: 0000-0001-9581-2922 0000-0002-7339-9564
    Fecha de alta del registro: 2024-09-07
    Versión del articulo depositado: info:eu-repo/semantics/acceptedVersion
    Enlace a la fuente original: https://pubs.rsc.org/en/content/articlelanding/2017/cp/c6cp08511c
    URL Documento de licencia: https://repositori.urv.cat/ca/proteccio-de-dades/
    Referencia al articulo segun fuente origial: Physical Chemistry Chemical Physics. 19 (7): 5343-5350
    Referencia de l'ítem segons les normes 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
    DOI del artículo: 10.1039/c6cp08511c
    Entidad: Universitat Rovira i Virgili
    Año de publicación de la revista: 2017
    Tipo de publicación: Journal Publications
  • Palabras clave:

    Chemistry, Physical,Physical and Theoretical Chemistry,Physics and Astronomy (Miscellaneous),Physics, Atomic, Molecular & Chemical
    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
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