Computational discovery of transition-metal complexes: from high-throughput screening to machine learning
Transition-metal complexes are attractive targets for the design of catalysts and functional
materials. The behavior of the metal–organic bond, while very tunable for achieving target …
materials. The behavior of the metal–organic bond, while very tunable for achieving target …
Heterometallic CuII–LnIII complexes: Single molecule magnets and magnetic refrigerants
Molecular nanomagnets containing heterometallic 3d-4f complexes have been investigated
extensively for the past few years realizing the role of exchange interaction to minimize the …
extensively for the past few years realizing the role of exchange interaction to minimize the …
Recent advances in lanthanide coordination polymers and clusters with magnetocaloric effect or single-molecule magnet behavior
JJ Hu, Y Peng, SJ Liu, HR Wen - Dalton Transactions, 2021 - pubs.rsc.org
Molecular magnetorefrigerant materials for low-temperature magnetic refrigeration and
single-molecule magnets for high-density information storage and quantum computing have …
single-molecule magnets for high-density information storage and quantum computing have …
Effect of spin–orbit coupling on phonon-mediated magnetic relaxation in a series of zero-valent vanadium, niobium, and tantalum isocyanide complexes
K Chakarawet, M Atanasov, JE Ellis… - Inorganic …, 2021 - ACS Publications
Spin-vibronic coupling leads to spin relaxation in paramagnetic molecules, and an
understanding of factors that contribute to this phenomenon is essential for designing next …
understanding of factors that contribute to this phenomenon is essential for designing next …
Applying Unconventional Spectroscopies to the Single‐Molecule Magnets, Co(PPh3)2X2 (X=Cl, Br, I): Unveiling Magnetic Transitions and Spin‐Phonon Coupling
AN Bone, CN Widener, DH Moseley… - … A European Journal, 2021 - Wiley Online Library
Large separation of magnetic levels and slow relaxation in metal complexes are desirable
properties of single‐molecule magnets (SMMs). Spin‐phonon coupling (interactions of …
properties of single‐molecule magnets (SMMs). Spin‐phonon coupling (interactions of …
Actinide coordination chemistry on surfaces: Synthesis, manipulation, and properties of thorium bis (porphyrinato) complexes
E Rheinfrank, M Pörtner… - Journal of the …, 2021 - ACS Publications
Actinide-based metal–organic complexes and coordination architectures encompass
intriguing properties and functionalities but are still largely unexplored on surfaces. We …
intriguing properties and functionalities but are still largely unexplored on surfaces. We …
Spin‐Phonon Coupling and Slow‐Magnetic Relaxation in Pristine Ferrocenium
M Amoza, L Maxwell, N Aliaga‐Alcalde… - … A European Journal, 2021 - Wiley Online Library
We report the spin dynamic properties of non‐substituted ferrocenium complexes.
Ferrocenium shows a field‐induced single‐molecule magnet behaviour in DMF solution …
Ferrocenium shows a field‐induced single‐molecule magnet behaviour in DMF solution …
Leveraging surface siloxide electronics to enhance the relaxation properties of a single-molecule magnet
Single-molecule magnets (SMMs) hold promise for unmatched information storage density
as well as for applications in quantum computing and spintronics. To date, the most …
as well as for applications in quantum computing and spintronics. To date, the most …
Reciprocating thermal behavior in multichannel relaxation of cobalt (II) based single ion magnets
A series of mononuclear Co (II) complexes showing slow magnetic relaxation is assessed
from the point of view of relaxation mechanisms. In certain cases, the reciprocating thermal …
from the point of view of relaxation mechanisms. In certain cases, the reciprocating thermal …
Generation of a Hetero Spin Complex from Iron (II) Iodide with Redox Active Acenaphthene-1, 2-Diimine
DS Yambulatov, SA Nikolaevskii, MA Kiskin, KV Kholin… - Molecules, 2021 - mdpi.com
The reaction of the redox active 1, 2-bis [(2, 6-diisopropylphenyl) imino] acenaphthene (dpp-
BIAN) and iron (II) iodide in acetonitrile led to a new complex [(dpp-BIAN) FeIII2](1) …
BIAN) and iron (II) iodide in acetonitrile led to a new complex [(dpp-BIAN) FeIII2](1) …