A DFT perspective on organometallic lanthanide chemistry

A Rajabi, R Grotjahn, D Rappoport, F Furche - Dalton Transactions, 2024 - pubs.rsc.org
Computational studies of the coordination chemistry and bonding of lanthanides have grown
in recent decades as the need for understanding the distinct physical, optical, and magnetic …

Two-Electron Oxidations at a Single Cerium Center

Y Wang, J Liang, C Deng, R Sun, PX Fu… - Journal of the …, 2023 - ACS Publications
Two-electron oxidations are ubiquitous and play a key role in the synthesis and catalysis.
For transition metals and actinides, two-electron oxidation often takes place at a single-metal …

Identification of the Formal +2 Oxidation State of Neptunium: Synthesis and Structural Characterization of {NpII[C5H3(SiMe3)2]3}1–

J Su, CJ Windorff, ER Batista, WJ Evans… - Journal of the …, 2018 - ACS Publications
We report a new formal oxidation state for neptunium in a crystallographically
characterizable molecular complex, namely Np2+ in [K (crypt)][NpIICp ″3][crypt= 2.2. 2 …

Lanthanides and actinides: Annual survey of their organometallic chemistry covering the year 2018

FT Edelmann, JH Farnaby, F Jaroschik… - Coordination Chemistry …, 2019 - Elsevier
This review summarizes the progress in organo-f-element chemistry during the year 2018. A
continuing trend for many years, which remained important in 2018, was the synthesis and …

High-Resolution X-ray Photoelectron Spectroscopy of Organometallic (C5H4SiMe3)3LnIII and [(C5H4SiMe3)3LnII]1– Complexes (Ln = Sm, Eu, Gd, Tb)

DN Huh, JP Bruce… - Journal of the …, 2021 - ACS Publications
The capacity of X-ray photoelectron spectroscopy (XPS) to provide information on the
electronic structure of molecular organometallic complexes of Ln (II) ions (Ln= lanthanide) …

Tetramethylcyclopentadienyl Ligands Allow Isolation of Ln(II) Ions across the Lanthanide Series in [K(2.2.2-cryptand)][(C5Me4H)3Ln] Complexes

TF Jenkins, DH Woen, LN Mohanam, JW Ziller… - …, 2018 - ACS Publications
Although previous studies of the stabilization of Ln (II) ions across the lanthanide series
have relied on Me3Si-substituted cyclopentadienyl ligands, we now find surprisingly that …

Evaluating electrochemical accessibility of 4f n 5d 1 and 4f n+ 1 Ln (ii) ions in (C 5 H 4 SiMe 3) 3 Ln and (C 5 Me 4 H) 3 Ln complexes

MT Trinh, JC Wedal, WJ Evans - Dalton Transactions, 2021 - pubs.rsc.org
The reduction potentials (reported vs. Fc+/Fc) for a series of Cp′ 3Ln complexes (Cp′=
C5H4SiMe3, Ln= lanthanide) were determined via electrochemistry in THF with …

The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2, 2, 2-cryptand allows isolation of [Y II (NR 2) 3] 1− and ynediolate …

AJ Ryan, JW Ziller, WJ Evans - Chemical science, 2020 - pubs.rsc.org
The use of 18-crown-6 (18-c-6) in place of 2.2. 2-cryptand (crypt) in rare earth amide
reduction reactions involving potassium has proven to be crucial in the synthesis of Ln (II) …

Chelate-Free Synthesis of the U(II) Complex, [(C5H3(SiMe3)2)3U]1–, Using Li and Cs Reductants and Comparative Studies of La(II) and Ce(II) Analogs

DN Huh, JW Ziller, WJ Evans - Inorganic Chemistry, 2018 - ACS Publications
To expand the range of synthetic options for generating complexes of the actinide metals in
the+ 2 oxidation state, reduction of Cp ″3U (Cp ″= C5H3 (SiMe3) 2) and the lanthanide …

Synthesis and Crystallographic Characterization of a Reduced Bimetallic Yttrium ansa-Metallocene Hydride Complex,[K (crypt)][(μ-CpAn) Y (μ-H)] 2 (CpAn= Me2Si …

JC Wedal, LM Anderson-Sanchez… - Journal of the …, 2023 - ACS Publications
The reduction of a bimetallic yttrium ansa-metallocene hydride was examined to explore the
possible formation of Y–Y bonds with 4d1 Y (II) ions. The precursor [CpAnY (μ-H)(THF)] 2 …