Covalency in f-element complexes
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 …
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 …
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 …
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 …
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 …
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
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 …
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
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 …
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 …
(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 …
more famous neighbours uranium and plutonium, is less conspicuously studied. Most …
What is the nature of the uranium (III)–arene bond?
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 …
R3 (R= Et, iPr, tBu, Ph); C6Me6; and triphenylene (C6H4) 3 were investigated towards an …