Ion-pairing in polyoxometalate chemistry: impact of fully hydrated alkali metal cations on properties of the keggin [PW


Journal

Dalton transactions (Cambridge, England : 2003)
ISSN: 1477-9234
Titre abrégé: Dalton Trans
Pays: England
ID NLM: 101176026

Informations de publication

Date de publication:
28 Aug 2020
Historique:
pubmed: 5 8 2020
medline: 5 8 2020
entrez: 5 8 2020
Statut: ppublish

Résumé

The counterions of polyoxometalates (POMs) impact properties and applications of this growing class of inorganic clusters. Here, we used density functional theory (DFT) to elucidate the impact of fully hydrated alkali metal cations on the geometry, electronic structure, and chemical properties of the polyoxotungstate anion [PW

Identifiants

pubmed: 32748937
doi: 10.1039/d0dt02239j
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

11170-11178

Auteurs

Alexey L Kaledin (AL)

Cherry L. Emerson Center for Scientific Computation, Emory University, Atlanta, Georgia 30322, USA. dmusaev@emory.edu.

Classifications MeSH