Understanding the Complexation Behavior of Carbamoylphosphine Oxide Ligands with Representative f-Block Elements
Aditya Ramesh Sachin,
Gopinadhanpillai Gopakumar,
Cherukuri Venkata Siva Brahmananda Rao
Abstract: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 intera… Show more
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