Details

Autor(en) / Beteiligte

• Nicholas, Thomas C
• Headen, Thomas F
• Wasse, Jonathan. C
• Howard, Christopher. A
• Skipper, Neal. T
• Seel, Andrew G

Titel

Intermediate Range Order in Metal–Ammonia Solutions: Pure and Na-Doped Ca-NH3

Ist Teil von

• The journal of physical chemistry. B, 2021-07, Vol.125 (27), p.7456-7461

Ort / Verlag

American Chemical Society

Erscheinungsjahr

2021

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• The local and intermediate range ordering in Ca–NH3 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 NH3 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.