Magnetic materials based on heterometallic Cr II/III–Ln III complexes

P Shukla, S Das, P Bag, A Dey - Inorganic Chemistry Frontiers, 2023 - pubs.rsc.org
Accommodating disparate spin centres within a single ensemble is a valuable synthetic
strategy to obtain interesting molecular magnetic materials. 3d–4f heterometallic complexes …

[HTML][HTML] Methods and models of theoretical calculation for single-molecule magnets

QC Luo, YZ Zheng - Magnetochemistry, 2021 - mdpi.com
Theoretical calculation plays an important role in the emerging field of single-molecule
magnets (SMMs). It can not only explain experimental phenomena but also provide synthetic …

Theoretical study of exchange coupling in 3d-Gd complexes: Large magnetocaloric effect systems

E Cremades, S Gomez-Coca, D Aravena… - Journal of the …, 2012 - ACS Publications
Polynuclear 3d transition metal-Gd complexes are good candidates to present large
magnetocaloric effect. This effect is favored by the presence of weak ferromagnetic …

Family of Carboxylate- and Nitrate-diphenoxo Triply Bridged Dinuclear NiIILnIII Complexes (Ln = Eu, Gd, Tb, Ho, Er, Y): Synthesis, Experimental and Theoretical …

E Colacio, J Ruiz, AJ Mota, MA Palacios… - Inorganic …, 2012 - ACS Publications
Seven acetate-diphenoxo triply bridged MII-LnIII complexes (MII= NiII and LnIII= Gd, Tb, Ho,
Er, and Y; MII= ZnII and LnIII= HoIII and ErIII) of formula [M (μ-L)(μ-OAc) Ln (NO3) 2], one …

Density functional studies on dinuclear {Ni II Gd III} and trinuclear {Ni II Gd III Ni II} complexes: magnetic exchange and magneto-structural maps

SK Singh, NK Tibrewal, G Rajaraman - Dalton Transactions, 2011 - pubs.rsc.org
Theoretical calculations using density functional methods have been performed on two
dinuclear {NiII–GdIII} and two trinuclear {NiII–GdIII–NiII} complexes having two and three μ …

Field-Induced Slow Relaxation of the Magnetization in Two Families of [MIILnIII] Complexes

E Costa-Villén, M Font-Bardia, J Mayans… - Crystal Growth & …, 2024 - ACS Publications
A family of discrete dinuclear complexes [MIILnIII](M= Cu, Ni and Ln= Ce, Gd, Tb, Dy, Er, Yb)
has been synthesized from the use of the compartmental Schiff base ligand H4L (3, 3′-((1 …

CuIIGdIII Cryogenic Magnetic Refrigerants and Cu8Dy9 Single‐Molecule Magnet Generated by In Situ Reactions of Picolinaldehyde and Acetylpyridine …

JL Liu, WQ Lin, YC Chen… - … A European Journal, 2013 - Wiley Online Library
A series of heterometallic [LnIIIxCuIIy] complexes,[Gd2Cu2] n (1),[Gd4Cu8](2),[Ln9Cu8](Ln=
Gd, 3⋅ Gd; Ln= Dy, 3⋅ Dy), were successfully synthesized by a one‐pot route at room …

Is a radical bridge a route to strong exchange interactions in lanthanide complexes? A computational examination

T Rajeshkumar, G Rajaraman - Chemical Communications, 2012 - pubs.rsc.org
The origin of very strong antiferromagnetic exchange in N23− bridged complex,[{[(Me3Si)
2N] 2Gd (THF)} 2 (μ-η2: η2-N2)]−(1) has been probed using density functional theory (DFT) …

Fluoride‐Bridged {GdIII3MIII2} (M=Cr, Fe, Ga) Molecular Magnetic Refrigerants

KS Pedersen, G Lorusso, JJ Morales… - Angewandte Chemie …, 2014 - Wiley Online Library
The reaction of fac‐[MIIIF3 (Me3tacn)]⋅ x H2O with Gd (NO3) 3⋅ 5H2O affords a series of
fluoride‐bridged, trigonal bipyramidal {GdIII3MIII2}(M= Cr (1), Fe (2), Ga (3)) complexes …

Magnetic exchange in {Gd III–radical} complexes: method assessment, mechanism of coupling and magneto-structural correlations

T Gupta, T Rajeshkumar, G Rajaraman - Physical Chemistry Chemical …, 2014 - pubs.rsc.org
Density functional studies have been performed on ten different {GdIII–radical} complexes
exhibiting both ferro and antiferromagnetic exchange interaction with an aim to assess a …