On the origin of low-valent uranium oxidation state

CL Silva, L Amidani, M Retegan, S Weiss… - Nature …, 2024 - nature.com
The significant interest in actinide bonding has recently focused on novel compounds with
exotic oxidation states. However, the difficulty in obtaining relevant high-quality experimental …

Multifaceted modularity: a key for stepwise building of hierarchical complexity in actinide metal–organic frameworks

EA Dolgopolova, OA Ejegbavwo… - Journal of the …, 2017 - ACS Publications
Growing necessity for efficient nuclear waste management is a driving force for development
of alternative architectures toward fundamental understanding of mechanisms involved in …

Unoccupied electronic structure of actinide dioxides

JG Tobin, H Ramanantoanina, C Daul, P Roussel… - Physical Review B, 2022 - APS
Ligand field density functional theory calculations of the dioxides of thorium, uranium, and
plutonium have been combined with high-energy-resolution fluorescence detection …

Core Excitations of Uranyl in Cs2UO2Cl4 from Relativistic Embedded Damped Response Time-Dependent Density Functional Theory Calculations

WA Misael, A Severo Pereira Gomes - Inorganic Chemistry, 2023 - ACS Publications
X-ray spectroscopies, by their high selectivity and sensitivity to the chemical environment
around the atoms probed, provide significant insights into the electronic structures of …

Probing the local coordination of hexavalent uranium and the splitting of 5f orbitals induced by chemical bonding

L Amidani, M Retegan, A Volkova, K Popa… - Inorganic …, 2021 - ACS Publications
We report here a detailed experimental and theoretical investigation of hexavalent uranium
in various local configurations with a high-energy-resolution fluorescence-detected X-ray …

The Application of HEXS and HERFD XANES for Accurate Structural Characterisation of Actinide Nanomaterials: The Case of ThO2

L Amidani, GBM Vaughan, TV Plakhova… - … A European Journal, 2021 - Wiley Online Library
The structural characterisation of actinide nanoparticles (NPs) is of primary importance and
hard to achieve, especially for non‐homogeneous samples with NPs less than 3 nm. By …

Multielectronic and multiatomic effects in the U O4, 5 x-ray absorption spectroscopy of uranium dioxide

JG Tobin, H Ramanantoanina, C Daul… - Journal of Vacuum …, 2023 - pubs.aip.org
In order to explain all of the spectral features observed in the UO 4, 5 x-ray absorption
spectrum of uranium dioxide (UO 2), it is necessary to include both multielectron effects and …

Probing chemical bonding in uranium dioxide by means of high-resolution X-ray absorption spectroscopy

SM Butorin, A Modin, JR Vegelius… - The Journal of …, 2016 - ACS Publications
A systematic X-ray absorption study at the U 3d, 4d, and 4f edges of UO2 was performed,
and the data were analyzed within framework of the Anderson impurity model. By applying …

Crystallographic structure and crystal field parameters in the [An IV (DPA) 3] 2− series, An= Th, U, Np, Pu

M Autillo, MA Islam, J Jung, J Pilmé… - Physical Chemistry …, 2020 - pubs.rsc.org
The [AnIV (DPA) 3] 2− series with An= Th, U, Np, Pu has been synthesized and
characterized using SC-XRD and vibrational spectroscopy. First principles calculations were …

Optical spectra and magnetic behavior of a wide range of europium (III) oxo-compounds: analysis of the ligand-field effects

A Bronova, N Kannengießer, R Glaum - Inorganic Chemistry, 2017 - ACS Publications
The europium–oxygen interaction in nine different europium (III) oxo-compounds (including
C-type Eu2O3) was investigated on the basis of powder reflectance spectra (near-IR/vis/UV) …