Autor según el artículo: Hayashi A, Wihadi MNK, Ota H, López X, Ichihashi K, Nishihara S, Inoue K, Tsunoji N, Sano T, Sadakane M

Departamento: Química Física i Inorgànica

Autor/es de la URV: López Fernández, Javier

Palabras clave: Polyoxometalate Inorganic chemistry Computational chemistry

Resumen: A mono-potassium cation-encapsulated Preyssler-type phosphotungstate, [P5W30O110K]14− (1), was prepared as a potassium salt, K14[P5W30O110K] (1a), by heating mono-bismuth- or mono- calcium-encapsulated Preyssler-type phosphotungstates (K12[P5W30O110Bi(H2O)] or K13[P5W30O110Ca(H2O)]) in acetate buffer. Characterization of the potassium salt 1a by single-crystal X-ray structure analysis, 31P and 183W nuclear magnetic resonance (NMR) spectroscopy, Fourier transform infrared spectroscopy, high-resolution electrospray ionization mass spectroscopy, and elemental analysis revealed that one potassium cation is encapsulated in the central cavity of the Preyssler-type phosphotungstate molecule with a formal D5h symmetry. Density functional theory calculations have confirmed that the potassium cation prefers the central position of the cavity over a side position, in which no water molecules are coordinated to the encapsulated potassium cation. 31P NMR and cyclic voltammetry analyses revealed the rapid protonation−deprotonation of the oxygens in the cavity compared to that of other Preyssler-type compounds. Heating of 1a in the solid state afforded a di-K+- encapsulated compound, K13[P5W30O110K2] (2a), indicating that a potassium counter-cation is introduced in one of the side cavities, concomitantly displacing the internal potassium ion from the center to a second side cavity, thus providing a new method to encapsulate an additional cation in Preyssler compounds.

Áreas temáticas: Química Interdisciplinar General chemistry General chemical engineering Engenharias ii Ciências agrárias i Chemistry, multidisciplinary Chemistry (miscellaneous) Chemistry (all) Chemical engineering (miscellaneous) Chemical engineering (all)

ISSN: 24701343

Direcció de correo del autor: javier.lopez@urv.cat

Identificador del autor: 0000-0003-0322-6796

Página final: 2373

Fecha de alta del registro: 2023-02-18

Volumen de revista: 3

Versión del articulo depositado: info:eu-repo/semantics/publishedVersion

Enlace a la fuente original: https://pubs.acs.org/doi/abs/10.1021/acsomega.8b00163

URL Documento de licencia: http://repositori.urv.cat/ca/proteccio-de-dades/

Referencia al articulo segun fuente origial: Acs Omega. 3 (2): 2363-2373

Referencia de l'ítem segons les normes APA: Hayashi A, Wihadi MNK, Ota H, López X, Ichihashi K, Nishihara S, Inoue K, Tsunoji N, Sano T, Sadakane M (2018). Preparation of Preyssler-type Phosphotungstate with One Central Potassium Cation and Potassium Cation Migration into the Preyssler Molecule to form Di-Potassium-Encapsulated Derivative. Acs Omega, 3(2), 2363-2373. DOI: 10.1021/acsomega.8b00163

DOI del artículo: 10.1021/acsomega.8b00163

Entidad: Universitat Rovira i Virgili

Año de publicación de la revista: 2018

Página inicial: 2363

Tipo de publicación: Journal Publications