Cargando…

A DFT study of uranyl hydroxyl complexes: structure and stability of trimers and tetramers

A DFT study of U(VI) hydroxy complexes was performed with special attention paid to the [(UO(2))(3)(OH)(5)(H(2)O)(4–7)](+) and [(UO(2))(4)(OH)(7)(H(2)O)(5–8)](+) species. It was established that the ionicity of the U=O bond increased when moving from [(UO(2))(H(2)O)(5)](2+), [(UO(2))(2)(OH)(H(2)O)(8...

Descripción completa

Detalles Bibliográficos
Autores principales: Grabias, Ewelina, Majdan, Marek
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Netherlands 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5533873/
https://www.ncbi.nlm.nih.gov/pubmed/28804187
http://dx.doi.org/10.1007/s10967-017-5305-z