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 …
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
Conspectus Heterometallic clusters with M–M bonds have significantly interested chemists
because of their attractive structures and synergistic effects in small-molecule activation and …
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 …
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
A synergistic anion photoelectron spectroscopic and ab initio computational study of
photodetachment of UF–is reported. The measurement determined a vertical detachment …
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 …
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
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 …
due to the high computational cost. With the rising popularity of spin-driven processes and f …
Recent advances in f-block metal-metal bonds
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 …
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 …
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 …
[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
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 …
3) crystals synthesized via the in situ hydrolysis of dimethylformamide (DMF). The …