Gross actinide preconcentration using phosphonate-based ligand and cloud point extraction

Labrecque, Charles; Lavergne, Julien Légaré; Larivière, Dominic

doi:10.1007/s10967-015-4447-0

Cited by 8 publications

(1 citation statement)

References 41 publications

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“…Therefore, understanding the complexation characteristics of the ligands is crucial in making predictions regarding their selectivity. Numerous theoretical and experimental investigations have been devoted to comprehending the complexation behavior of ligands containing phosphoryl groups, including phosphates, phosphonates, and phosphine oxides, with actinides. − These studies have demonstrated a direct correlation between the computed complexation energies of ligands and metal nitrates and the D value. The D value represents the ratio of metal ion concentration in the organic phase to its concentration in the aqueous phase, serving as a measure of the ligand’s extraction ability.…”

Section: Introductionmentioning

confidence: 99%

Understanding the Complexation Behavior of Carbamoylphosphine Oxide Ligands with Representative f-Block Elements

Sachin,

Gopakumar,

Brahmananda Rao

2024

J. Phys. Chem. A

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The complexation behavior of carbamoylmethylphosphine oxide ligands (CMPO), a bifunctional phosphine oxide, and their substituted derivatives with Ce(III), Eu(III), Th(IV), U(VI), and Am(III) was probed at the density functional theory (DFT) level. The enhanced extraction of trivalent rare earth elements by the 2diphenylphosphinylethyl derivative over the conventional CMPO ligand is identified due to the availability of an additional P�O donor group in the former. In addition, the orbital and dispersive interactions play a vital role in the preference of Th(IV) over U(VI) during extraction using CMPO ligands. The better complexing ability of ligands having long alkyl chain substituents at the P atom is justified due to the observed enhanced dispersion interactions in these systems.

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