Am(II–VII) species in aqueous solutions and mechanisms of reactions involving them

Shilov, V. P.; Nikolaevskii, V.B.

doi:10.1134/s1066362214040018

Cited by 4 publications

(1 citation statement)

References 64 publications

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“…For instance, the populations are almost 0 for Np VII (f 0 ) and 1.36 |e| for Pu VII (f 1 ) and 2.62|e| for Am VI (f 3 ). Therefore, the heptavalent actinide ions have been identified for Np and Pu in [AnO 4 (OH) 2 ] 3– and not identified in [AmO 4 (OH) 2 ] 3– . ,, Although Am(VII) has been experimentally generated via oxidation of Am(VI) with O 3 – radical ions in strong acid solutions, it is impossible for a bonded state to form Am(VII).…”

Section: Results and Discussionmentioning

confidence: 99%

Theoretical Insight into Coordination Chemistry of Am(VI) and Am(V) with Phenanthroline Ligand: Implications for High Oxidation State Based Minor Actinide Separation

Qin

Zhang

et al. 2020

Inorg. Chem.

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Despite continuing and burgeoning interest in americium (Am) coordination chemistry in recent years, investigations of the electronic structures and bonding chemistry of high oxidation state americium complexes and their implications for minor actinide separation remain relatively less explored to date. Here, we used density functional theory (DFT) to create high oxidation states of americium but experimentally feasible models of Am(V) and Am(VI) complexes of phenanthroline ligand (DAPhen) as [AmO 2 (L)] 1+/2+ and [AmO 3 (L)] 1+ (L = 2,9-bis[(N,N-dimethyl)-carbonyl]-1,10-phenanthroline (oxo-DAPhen, L O ) and 2,9-bis[(N,N-dimethyl)-thio-carbonyl]-1,10-phenanthroline (thio-DAPhen, L S )), meanwhile comparing these with [UO 2 (L)] 2+ . On the basis of the calculations, the Am(V) and Am(VI) oxidation state are thermodynamically feasible and can be stabilized by DAPhen ligands. From a comparative study, the strength of thio-DAPhen in the separation of high oxidation state Am emerges better than does oxo-DAPhen, which relates to the nature, energy level, and spatial arrangement of their frontier orbitals. This study provides fundamental knowledge toward understanding the transuranic separations processes, which has implications in designing new, more selective extraction processes for the separation of Am from curium (Cm) as well as lanthanide.

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