Coupled Cluster Study of the Heats of Formation of UF6 and the Uranium Oxyhalides, UO2X2 (X = F, Cl, Br, I, and At)

DM Andriola, KA Peterson - The Journal of Physical Chemistry A, 2023 - ACS Publications
The atomization enthalpies of the U (VI) species UF6 and the uranium oxyhalides UO2X2
(X= F, Cl, Br, I, and At) were calculated using a composite relativistic Feller–Peterson–Dixon …

Electrochemistry of uranyl peroxide solutions during electrospray ionization

VG Rodriguez, HJ Culbertson, GE Sigmon… - Inorganic …, 2023 - ACS Publications
The ionization of uranyl triperoxide monomer,[(UO2)(O2) 3] 4–(UT), and uranyl peroxide
cage cluster,[(UO2) 28 (O2) 42–x (OH) 2 x] 28–(U28), was studied with electrospray …

Synthesis and hydrolysis of uranyl, neptunyl, and plutonyl gas-phase complexes exhibiting discrete actinide–carbon bonds

PD Dau, D Rios, Y Gong, MC Michelini… - …, 2016 - ACS Publications
Gas-phase organoactinyl complexes possessing discrete An–C bonds (An= U, Np, Pu) were
synthesized in a quadrupole ion trap by endothermic decarboxylation of [AnO2 (O2C–R) 3] …

Gas phase reactions of ions derived from anionic uranyl formate and uranyl acetate complexes

E Perez, C Hanley, S Koehler, J Pestok… - Journal of The …, 2016 - ACS Publications
The speciation and reactivity of uranium are topics of sustained interest because of their
importance to the development of nuclear fuel processing methods, and a more complete …

Destruction of the uranyl moiety in a U (V)“cation–cation” interaction

SX Hu, J Jian, J Li, JK Gibson - Inorganic chemistry, 2019 - ACS Publications
A gas-phase uranyl peroxide dimer supported by three 12-crown-4 ether (12C4)
ligands,[(UO2) 2 (O2)(12C4) 3)] 2+(A), was prepared by electrospray ionization. Density …

Dinuclear Complexes of Uranyl, Neptunyl, and Plutonyl: Structures and Oxidation States Revealed by Experiment and Theory

T Jian, M Vasiliu, ZR Lee, Z Zhang… - The Journal of …, 2022 - ACS Publications
Dinuclear perchlorate complexes of uranium, neptunium, and plutonium were characterized
by reactivity and DFT, with results revealing structures containing pentavalent, hexavalent …

Influence of Background H2O on the Collision-Induced Dissociation Products Generated from [UO2NO3]+

MJ Van Stipdonk, A Iacovino… - Journal of The American …, 2018 - ACS Publications
Developing a comprehensive understanding of the reactivity of uranium-containing species
remains an important goal in areas ranging from the development of nuclear fuel processing …

Reactions of gas-phase uranyl formate/acetate anions: reduction of carboxylate ligands to aldehydes by intra-complex hydride attack

AR Bubas, IJ Tatosian, A Iacovino… - Physical Chemistry …, 2024 - pubs.rsc.org
In a previous study, electrospray ionization, collision-induced dissociation (CID), and gas-
phase ion–molecule reactions were used to create and characterize ions derived from …

Gas-phase synthesis of [O [double bond, length as m-dash] U–X]+(X= Cl, Br and I) from a UO 2 2+ precursor using ion-molecule reactions and an [O [double bond …

J Terhorst, S Lenze, L Metzler, AN Fry, A Ihabi… - Dalton …, 2024 - pubs.rsc.org
Difficulty in the preparation of gas-phase ions that include U in middle oxidation states (III,
IV) have hampered efforts to investigate intrinsic structure, bonding and reactivity of model …

Gas-Phase Deconstruction of UO22+: Mass Spectrometry Evidence for Generation of [OUVICH]+ by Collision-Induced Dissociation of [UVIO2(C≡CH)]+

MJ van Stipdonk, IJ Tatosian, AC Iacovino… - Journal of The …, 2019 - ACS Publications
Because of the high stability and inertness of the U= O bonds, activation and/or
functionalization of UO22+ and UO2+ remain challenging tasks. We show here that collision …