PUBLICATION: JOURNAL OF RAMAN SPECTROSCOPY

AUTHORS: Cui, RR; Wang, CY

In order to investigate the species in the FLiNaK-CeF3 and FLiNaK-CeF3-Li2O melts, in situ high temperature Raman spectroscopy was used with the aid of density functional theory (DFT) calculation. In molten FLiNaK, the CeF63- octahedra affected by alkali cations were identified to be the predominan species. Binuclear cerium oxyfluoride anions Ce2OF84- and Ce2OF106- were formed after adding O2- into the molten FLiNaK-CeF3 (20 mol%) mixtures. Both of these two species were predicted to have Ce-O-Ce geometries with two CeF4/CeF5 moieties bridged by a single oxygen atom.

 

LINKS: http://dx.doi.org/10.1002/jrs.6093