Covalency in f-element complexes

ML Neidig, DL Clark, RL Martin - Coordination Chemistry Reviews, 2013 - Elsevier
The presence of covalency in complexes of the 4f and 5f elements has been a source of
intense research and controversy. In addition to academic interest in this debate, there is an …

Relativistic pseudopotentials: their development and scope of applications

M Dolg, X Cao - Chemical reviews, 2012 - ACS Publications
The concept of valence and core electrons is familiar to every chemist and underlying, for
example, the ordering of the elements in the periodic table. For many qualitative …

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 …

All-electron scalar relativistic basis sets for the actinides

DA Pantazis, F Neese - Journal of chemical theory and …, 2011 - ACS Publications
Increasing interest in the computational modeling of actinide compounds creates the need
for alternative choices when in comes to fine tuning the computational methodology in order …

Tuning the alkyl chain of nitrilotriacetamide for selectively extracting trivalent Am over Eu ions

J Wang, YC Hou, YR Guo, XY Wang, SD Ding… - Inorganic …, 2023 - ACS Publications
The successful management and safe disposal of high-level nuclear waste necessitate the
efficient separation of actinides (An) from lanthanides (Ln), which has emerged as a crucial …

Linear versus Bent Uranium (II) Metallocenes─ A Local Vibrational Mode Study

BMTC Peluzo, MZ Makoś, RT Moura Jr… - Inorganic …, 2023 - ACS Publications
Uranium metallocenes have recently attracted attention driven by their use as catalysts in
organometallic synthesis. In addition to bent U (IV) and U (III), an U (II) metallocene [(η5-C5 i …

Ab initio ligand-field theory analysis and covalency trends in actinide and lanthanide free ions and octahedral complexes

J Jung, M Atanasov, F Neese - Inorganic Chemistry, 2017 - ACS Publications
Actinide chemistry is gaining increased focus in modern research, particularly in the fields of
energy research and molecular magnetism. However, the structure–function and structure …

Small molecule activation by uranium tris (aryloxides): experimental and computational studies of binding of N2, coupling of CO, and deoxygenation insertion of CO2 …

SM Mansell, N Kaltsoyannis… - Journal of the American …, 2011 - ACS Publications
Previously unanticipated dinitrogen activation is exhibited by the well-known uranium tris
(aryloxide) U (ODtbp) 3, U (OC6H3-But2-2, 6) 3, and the tri-tert-butyl analogue U (OTtbp) 3 …

A terminal neptunium (V)–mono (oxo) complex

MS Dutkiewicz, CAP Goodwin, M Perfetti, AJ Gaunt… - Nature Chemistry, 2022 - nature.com
Neptunium was the first actinide element to be artificially synthesized, yet, compared with its
more famous neighbours uranium and plutonium, is less conspicuously studied. Most …

What is the nature of the uranium (III)–arene bond?

SR Chowdhury, CAP Goodwin, B Vlaisavljevich - Chemical Science, 2024 - pubs.rsc.org
Complexes of the form [U (η6-arene)(BH4) 3] where arene= C6H6; C6H5Me; C6H3-1, 3, 5-
R3 (R= Et, iPr, tBu, Ph); C6Me6; and triphenylene (C6H4) 3 were investigated towards an …