1. Hydration of UO2(super 2+) and PuO2(super 2+)
- Author
-
Spencer, Steven, Gagliardi, Laura, Handy, Nicholas C., Ioannau, Andrew G., Skylaris, Chris-Kriton, Willetts, Andrew, and Simper, Adrian M.
- Subjects
Hydration -- Research ,Solvation -- Research ,Actinium -- Research ,Plutonium -- Research ,Chemicals, plastics and rubber industries - Abstract
The hydration of the actinyl cations, uranyl UO2(super 2+) and plutonyl PuO2(super 2+), has been investigated. Kohn-Sham Density Function Theory calculations using the MAGIC quantuam chemistry code have been performed on the separate uranyl and plutonyl species, and on the complexes AcO2(super 2+).nH2O (AC = U, Pu; N = 4, 5, 6). The results showed that the solvent plays a critical role in the hydration process wherein the solvent molecules were found to behave like actual binding equatorial ligands.
- Published
- 1999