Sulfur donating extractants for the separation of trivalent actinides and lanthanides
NP Bessen, JA Jackson, MP Jensen… - Coordination Chemistry …, 2020 - Elsevier
The effective separation of trivalent actinides and lanthanides is capable of reducing the
long term radiation hazard associated with used nuclear fuel. This class of separation …
long term radiation hazard associated with used nuclear fuel. This class of separation …
Recent advances in computational modeling and simulations on the An (III)/Ln (III) separation process
The selective extraction of minor actinides (III) from the lanthanides (III) is a key step for
spent fuel reprocessing. Theoretical calculations of geometries, electronic structures …
spent fuel reprocessing. Theoretical calculations of geometries, electronic structures …
Does covalency increase or decrease across the actinide series? Implications for minor actinide partitioning
N Kaltsoyannis - Inorganic chemistry, 2013 - ACS Publications
A covalent chemical bond carries the connotation of overlap of atomic orbitals between
bonded atoms, leading to a buildup of the electron density in the internuclear region …
bonded atoms, leading to a buildup of the electron density in the internuclear region …
Selective separation and complexation of trivalent actinide and lanthanide by a tetradentate soft–hard donor ligand: Solvent extraction, spectroscopy, and DFT …
Recently, phenanthroline-based ligands have received increasing attention due to their
excellent separation capabilities for trivalent actinides over lanthanide. In this work, we …
excellent separation capabilities for trivalent actinides over lanthanide. In this work, we …
Theoretical insights into the selective separation of Am (III)/Eu (III) using hydrophilic triazolyl-based ligands
ZR Ye, QY Wu, CZ Wang, JH Lan, ZF Chai… - Inorganic …, 2022 - ACS Publications
Designing ligands with efficient actinide (An (III))/lanthanide (Ln (III)) separation performance
is still one of the key issues for the disposal of accumulated radioactive waste and the …
is still one of the key issues for the disposal of accumulated radioactive waste and the …
Hydration of lanthanoids (III) and actinoids (III): an experimental/theoretical saga
P D'Angelo, R Spezia - Chemistry–A European Journal, 2012 - Wiley Online Library
The latest experimental and theoretical studies on structural and dynamical properties of
lanthanoid (III) and actinoid (III) ions in water have been reviewed. In the last years, most of …
lanthanoid (III) and actinoid (III) ions in water have been reviewed. In the last years, most of …
Theoretical insights into the selective extraction of americium (III) over europium (III) with dithioamide-based ligands
C Wang, QY Wu, XH Kong, CZ Wang, JH Lan… - Inorganic …, 2019 - ACS Publications
Separation of trivalent actinides An (III) from lanthanides Ln (III) is a worldwide challenge
owing to their very similar chemical behaviors. It is highly desirable to understand the nature …
owing to their very similar chemical behaviors. It is highly desirable to understand the nature …
Do QTAIM metrics correlate with the strength of heavy element–ligand bonds?
ARE Mountain, N Kaltsoyannis - Dalton Transactions, 2013 - pubs.rsc.org
The bonding in monomeric and dimeric molecular compounds of Cr, Mo, W and U is
explored using the Quantum Theory of Atoms-in-Molecules (QTAIM). The metal–ligand and …
explored using the Quantum Theory of Atoms-in-Molecules (QTAIM). The metal–ligand and …
Heterocyclic Ligands with Different N/O Donor Modes for Am (III)/Eu (III) Separation: A Theoretical Perspective
Excellent “CHON” compatible ligands based on a heterocyclic skeleton for the separation of
trivalent actinides [An (III)] from lanthanides [Ln (III)] have been widely explored, the aim …
trivalent actinides [An (III)] from lanthanides [Ln (III)] have been widely explored, the aim …
Enhancing actinide (III) over lanthanide (III) selectivity through hard-by-soft donor substitution: exploitation and implication of near-degeneracy-driven covalency
Soft donor ligands often provide higher selectivity for actinides (III) over chemically similar
lanthanides (III), eg, in the AmIII–EuIII pair. Frequently, the origin of such selectivity is …
lanthanides (III), eg, in the AmIII–EuIII pair. Frequently, the origin of such selectivity is …