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Intermediate Range Order in Metal–Ammonia Solutions: Pure and Na-Doped Ca-NH(3)

[Image: see text] The local and intermediate range ordering in Ca–NH(3) solutions in their metallic phase is determined through H/D isotopically differenced neutron diffraction in combination with empirical potential structure refinements. For both low and high relative Ca concentrations, the Ca ion...

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Detalles Bibliográficos
Autores principales: Nicholas, Thomas C., Headen, Thomas F., Wasse, Jonathan. C., Howard, Christopher. A., Skipper, Neal. T., Seel, Andrew G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8389892/
https://www.ncbi.nlm.nih.gov/pubmed/34212732
http://dx.doi.org/10.1021/acs.jpcb.1c03843
Descripción
Sumario:[Image: see text] The local and intermediate range ordering in Ca–NH(3) solutions in their metallic phase is determined through H/D isotopically differenced neutron diffraction in combination with empirical potential structure refinements. For both low and high relative Ca concentrations, the Ca ions are found to be octahedrally coordinated by the NH(3) solvent, and these hexammine units are spatially correlated out to lengthscales of ∼7.4–10.3 Å depending on the concentration, leading to pronounced ordering in the bulk liquid. We further demonstrate that this liquid order can be progressively disrupted by the substitution of Ca for Na, whereby a distortion of the average ion primary solvation occurs and the intermediate range ion–ion correlations are disrupted.