A Comprehensive Study Concerning the Synthesis, Structure, and Reactivity of Terminal Uranium Oxido, Sulfido, and Selenido Metallocenes

T Li, D Wang, Y Heng, G Hou, G Zi… - Journal of the …, 2023 - ACS Publications
Terminal uranium oxido, sulfido, and selenido metallocenes were synthesized, and their
reactivity was comprehensively studied. Heating of an equimolar mixture of [η5-1, 2, 4 …

Molecular actinide compounds with soft chalcogen ligands

M Ephritikhine - Coordination Chemistry Reviews, 2016 - Elsevier
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Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes

KR Meihaus, SG Minasian, WW Lukens Jr… - Journal of the …, 2014 - ACS Publications
Two isostructural series of trigonal prismatic complexes, M (BpMe) 3 and M (BcMe) 3 (M= Y,
Tb, Dy, Ho, Er, U;[BpMe]−= dihydrobis (methypyrazolyl) borate;[BcMe]−= dihydrobis …

Improved segmented all-electron relativistically contracted basis sets for the lanthanides

D Aravena, F Neese, DA Pantazis - Journal of chemical theory …, 2016 - ACS Publications
Improved versions of the segmented all-electron relativistically contracted (SARC) basis sets
for the lanthanides are presented. The second-generation SARC2 basis sets maintain …

Use of 77Se and 125Te NMR Spectroscopy to Probe Covalency of the Actinide-Chalcogen Bonding in [Th(En){N(SiMe3)2}3] (E = Se, Te; n = 1, 2) and Their …

DE Smiles, G Wu, P Hrobarik… - Journal of the American …, 2016 - ACS Publications
Reaction of [Th (I)(NR2) 3](R= SiMe3)(1) with 1 equiv of either [K (18-crown-6)] 2 [Se4] or [K
(18-crown-6)] 2 [Te2] affords the thorium dichalcogenides,[K (18-crown-6)][Th (η2-E2)(NR2) …

Actinide–Oxygen Multiple Bonds from Air: Synthesis and Characterization of a Thorium Oxo Supported by Redox-Active Ligands

DMRYP Rupasinghe, MR Baxter, H Gupta… - Journal of the …, 2022 - ACS Publications
The first non-uranyl, f-element oxo complex synthesized from dioxygen in dry air is
presented in this work. The synthesis was accomplished by treating the redox-active thorium …

Selective capture mechanism of radioactive thorium from highly acidic solution by a layered metal sulfide

L Xu, C Xu, H Bao, I Spanopoulos, W Ke… - … Applied Materials & …, 2021 - ACS Publications
Thorium as a potential nuclear fuel for the next-generation thorium-based molten salt
reactors holds significant environmental and economic promise over the current uranium …

Selective separation of thorium and uranyl in phases of different polarity using novel benzoxazole-based ligands: A DFT study

YF Li, XH Kong, MJ Ma, AM Ren, TS Wu… - Journal of Molecular …, 2023 - Elsevier
The separation of thorium and uranium is an important guarantee for the fuel cycle of
thorium-based molten salt reactors. Benzoxazole-based ligands have a wide range of …

Complexation thermodynamics of diglycolamide with f-elements: solvent extraction and density functional theory analysis

SM Ali, S Pahan, A Bhattacharyya… - Physical Chemistry …, 2016 - pubs.rsc.org
Comparative extraction of trivalent lanthanide and actinide ions (La3+, Eu3+, Lu3+, Am3+
and Cm3+) with tetra-n-octyl diglycolamide (TODGA) was studied and showed the trend …

The strength of actinide–element bonds from the quantum theory of atoms-in-molecules

QR Huang, JR Kingham, N Kaltsoyannis - Dalton Transactions, 2015 - pubs.rsc.org
[AnX3] 2 (μ–η2: η2-N2)(An= Th–Pu; X= F, Cl, Br, Me, H, OPh) have been studied using
relativistic density functional theory. Geometric and vibrational data suggest that metal→ N2 …