Oxo ligand functionalization in the uranyl ion (UO22+)

S Fortier, TW Hayton - Coordination Chemistry Reviews, 2010 - Elsevier
Uranyl (UO22+) is an exceptionally stable molecular species, characterized by a linear OUO
geometry and short U–O bonds. Its two oxo ligands are thought to be inert to exchange and …

Theoretical actinide molecular science

G Schreckenbach, GA Shamov - Accounts of chemical research, 2010 - ACS Publications
Interest in the chemistry of the early actinide elements (notably uranium through americium)
usually results either from the nuclear waste problem or the unique chemistry of these …

Electronic structure and bonding in actinyl ions and their analogs

RG Denning - The Journal of Physical Chemistry A, 2007 - ACS Publications
This Feature Article seeks to present the current state of knowledge, both experimental and
theoretical, of the electronic structure and bonding in actinyl ions and related species, such …

Uranium

I Grenthe, J Drożdżynński, T Fujino, EC Buck… - The chemistry of the …, 2006 - Springer
By 1911, the atomic weight of uranium had been refined to 238.5 (Gmelin, vol. A2, 1980a).
The natural isotope 235 U was discovered in 1935 by mass spectrometry. The artificial …

Chemical speciation of the uranyl ion under highly alkaline conditions. Synthesis, structures, and oxo ligand exchange dynamics

DL Clark, SD Conradson, RJ Donohoe… - Inorganic …, 1999 - ACS Publications
The tetramethylammonium counterion was used to suppress formation of insoluble uranate
salts, M2U2O7, and allow for a detailed structural and spectroscopic characterization of UO2 …

How amidoximate binds the uranyl cation

S Vukovic, LA Watson, SO Kang, R Custelcean… - Inorganic …, 2012 - ACS Publications
This study identifies how the amidoximate anion, AO, interacts with the uranyl cation,
UO22+. Density functional theory calculations have been used to evaluate possible binding …

Theoretical Studies of the Properties and Solution Chemistry of AnO22+ and AnO2+ Aquo Complexes for An = U, Np, and Pu

PJ Hay, RL Martin… - The Journal of Physical …, 2000 - ACS Publications
The structures and vibrational frequencies of UO2 (H2O) 52+, NpO2 (H2O) 52+, and PuO2
(H2O) 52+ corresponding to An (VI) oxidation states and UO2 (H2O) 5+, Np (H2O) 5+, and …

Density functional calculations on actinide compounds: Survey of recent progress and application to [UO2X4]2− (X=F, Cl, OH) and AnF6 (An=U, Np, Pu)

G Schreckenbach, PJ Hay… - Journal of computational …, 1999 - Wiley Online Library
The subject of this article, the application of density functional theory (DFT) to molecular
systems containing actinide elements, is discussed in two parts. In the first part, a survey is …

Recent developments in computational actinide chemistry

N Kaltsoyannis - Chemical Society Reviews, 2003 - pubs.rsc.org
This review describes recent computational investigations into the electronic and geometric
structures of molecular actinide compounds. Following brief introductions to (i) the effects of …

Solution coordination chemistry of actinides: Thermodynamics, structure and reaction mechanisms

Z Szabó, T Toraishi, V Vallet, I Grenthe - Coordination Chemistry Reviews, 2006 - Elsevier
The emphasis of this review is on the combination of experimental and theoretical methods
to obtain microscopic information on the chemistry of actinides in aqueous solution. A brief …