Recent advances in heterometallic clusters with f-block metal–metal bonds: synthesis, reactivity and applications

W Fang, Q Zhu, C Zhu - Chemical Society Reviews, 2022 - pubs.rsc.org
Due to the heterometallic synergistic effects from different metals, heterometallic clusters are
of great importance in small-molecule activation and catalysis. For example, both biological …

Heterometallic clusters with uranium–metal bonds supported by double-layer nitrogen–phosphorus ligands

Q Zhu, W Fang, L Maron, C Zhu - Accounts of Chemical Research, 2022 - ACS Publications
Conspectus Heterometallic clusters with M–M bonds have significantly interested chemists
because of their attractive structures and synergistic effects in small-molecule activation and …

On the Bonding Nature in the Crystalline Tri‐Thorium Cluster: Core‐Shell Syngenetic σ‐Aromaticity

X Lin, Y Mo - Angewandte Chemie International Edition, 2022 - Wiley Online Library
A unique thorium‐thorium bond was observed in the crystalline tri‐thorium cluster [{Th (η8‐
C8H8)(μ3‐Cl) 2} 3 {K (THF) 2} 2]∞, though the claim of σ‐aromaticity for Th3 bond has been …

Anion Photoelectron Spectroscopy and Ab Initio Studies of the UF Anion

BA Tufekci, K Foreman, JGF Romeu… - The Journal of …, 2024 - ACS Publications
A synergistic anion photoelectron spectroscopic and ab initio computational study of
photodetachment of UF–is reported. The measurement determined a vertical detachment …

Multiconfiguration Pair-Density Functional Theory for Vertical Excitation Energies in Actinide Molecules

A Sarkar, L Gagliardi - The Journal of Physical Chemistry A, 2023 - ACS Publications
Modeling actinides with electronic structure theories is challenging because these systems
present a strong ligand field and metal–ligand covalency. We systematically investigate the …

Comparison of Variational and Perturbative Spin–Orbit Coupling within Two-Component CASSCF

C Liao, CE Hoyer, R Banerjee Ghosh… - The Journal of …, 2024 - ACS Publications
The modeling of spin–orbit coupling (SOC) remains a challenge in computational chemistry
due to the high computational cost. With the rising popularity of spin-driven processes and f …

Recent advances in f-block metal-metal bonds

W Fang, L Maron, C Zhu - Handbook on the Physics and Chemistry of Rare …, 2023 - Elsevier
The metal-metal bonds involved in f-block elements have attracted hefty interest during
recent years because of their fascinating structures and unique properties. Auxiliary ligands …

Concept study of a storage ring-based gravitational wave observatory: Gravitational wave strain and synchrotron radiation noise

T Schmirander, V Miltchev, S Rao, M Brüggen… - Physical Review D, 2024 - APS
This work for the first time addresses the feasibility of measuring millihertz gravitational
waves (mHz GWs) with a storage ring-based detector. While this overall challenge consists …

Metal–Metal Bonding in Tri‐Actinide Clusters: A DFT Study of [An3Cl6] z (z= 1–6) and [An3Cl6Cp3] z (z=− 2–+ 3; An= Ac, Th, Pa, U, Np, Pu)

J Tomeček, ST Liddle, N Kaltsoyannis - ChemPhysChem, 2024 - Wiley Online Library
The actinide–actinide bonding in tri‐actinide clusters [An₃Cl₆] ᶻ (An= Ac–Pu, z= 1–6) and
[An₃Cl₆Cp₃] ᶻ (z=− 2–+ 3; Cp=(η5‐C5H5)) is studied using density functional theory. We …

Insight into the Structural and Emissive Behavior of a Three‐Dimensional Americium (III) Formate Coordination Polymer

AD Nicholas, A Arteaga, LC Ducati… - … A European Journal, 2023 - Wiley Online Library
We report the structural, vibrational, and optical properties of americium formate (Am (CHO2)
3) crystals synthesized via the in situ hydrolysis of dimethylformamide (DMF). The …