Computational design of magnetic molecules and their environment using quantum chemistry, machine learning and multiscale simulations

A Lunghi, S Sanvito - Nature Reviews Chemistry, 2022 - nature.com
Having served as a playground for fundamental studies on the physics of d and f electrons
for almost a century, magnetic molecules are now becoming increasingly important for …

Lanthanide–radical single-molecule magnets: current status and future challenges

HD Li, SG Wu, ML Tong - Chemical Communications, 2023 - pubs.rsc.org
In the field of molecular magnetism, the lanthanide–radical (Ln–Rad) method has become
one of the most appealing tactics for introducing strong magnetic interactions and has …

Mononuclear Dysprosium Alkoxide and Aryloxide Single‐Molecule Magnets

VS Parmar, DP Mills… - Chemistry–A European …, 2021 - Wiley Online Library
Recent studies have shown that mononuclear lanthanide (Ln) complexes can be high‐
performing single‐molecule magnets (SMMs). Recently, there has been an influx of …

Molecule-based magnetic materials constructed from paramagnetic organic ligands and two different metal ions

MGF Vaz, M Andruh - Coordination Chemistry Reviews, 2021 - Elsevier
This paper reviews the most representative examples of polynuclear complexes containing
three spin carriers: a paramagnetic organic ligand (nitronyl-nitroxide, imino-nitroxide …

Heterotrimetallic complexes in molecular magnetism

M Andruh - Chemical Communications, 2018 - pubs.rsc.org
This paper reviews the most representative examples of heterometallic complexes
containing three different paramagnetic metal ions, focusing on their magnetic properties …

SMM behavior tuned by an exchange coupling LEGO approach for chimeric compounds: first 2p–3d–4f Heterotrispin complexes with different metal ions bridged by …

AA Patrascu, M Briganti, S Soriano… - Inorganic …, 2019 - ACS Publications
Coordination compounds containing three different spin carriers (2p, 3d, and 4f), with the
general formula [MIIDyIII (LH)(hfac) 5](M= Co, Ni, Mn, Zn), have been obtained using …

Unique 3d–4f Heterometallic Networks Based on a Nitronyl Nitroxide Radical Functionalized with Additional N and O Donors

CY **, Y Zhou, D Martinez, L Li… - Crystal Growth & …, 2024 - ACS Publications
Three 2D heterospin radical-3d–4f networks with the formula {[Ln (hfac) 3] 2 [M (hfac) 2](NIT-
3Py-5-Pyoe) 2} n (MII= CoII and LnIII= Gd 1, Dy 2; MII= CuII and LnIII= Dy 3; NIT-3Py-5 …

Functionalized nitronyl nitroxide biradicals for the construction of 3d–4f heterometallic compounds

H Li, J Sun, M Yang, Z Sun, J Tang, Y Ma… - Inorganic Chemistry, 2018 - ACS Publications
Functionalized nitronyl nitroxide biradical ligands incorporating pyridine groups hold CoII
and LnIII ions together, creating biradical-based 3d–4f tetranuclear complexes [Ln2Co2 …

Investigation by Chemical Substitution within 2p-3d-4f Clusters of the Cobalt(II) Role in the Magnetic Behavior of [vdCoLn]2 (vd = Verdazyl Radical)

G Novitchi, S Shova, C Train - Inorganic Chemistry, 2022 - ACS Publications
1, 5-Dimethyl-3-(3′-(hydroxymethyl)-2′-pyridine)-6-oxotetrazane (H3vdpyCH2OH) or its
oxidized verdazyl form (vdpyCH2OH) reacted with transition metal and/or lanthanide …

[HTML][HTML] New materials and effects in molecular nanomagnets

T Blachowicz, A Ehrmann - Applied Sciences, 2021 - mdpi.com
Molecular magnets are a relatively new class of purely organic or metallo-organic materials,
showing magnetism even without an external magnetic field. This interdisciplinary field …