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10th Anniversary of Magnetochemistry: Past, Present and Future

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A Special Issue of Magnetochemistry (ISSN 2312-7481).

Deadline for manuscript submissions: closed (30 April 2026) | Viewed by 10214

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Prof. Dr. Carlos J. Gómez García

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Department of Inorganic Chemistry, Faculty of Chemistry, University of Valencia, C/Dr. Moliner 50, 46100 Burjasot, Spain
Interests: molecular magnetism; coordination magnetic polymers; magnetic MOFs; magnetic polyoxometalates; conducting magnetic materials; multifunctional magnetic materials
Special Issues, Collections and Topics in MDPI journals

Prof. Dr. Zheng Gai

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Guest Editor

CNMS, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA
Interests: metal oxides; highly correlated complex oxides; skyrmion; superconductor; low dimensional materials; 2D materials; films; nanoparticles; nanostructures; magnetism; magnetic anisotropy; magneto optic effects; nanomagnetism; superparamagnetism; phase transitions; superconductivity

Prof. Dr. Gustavo A. Aucar

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Institute for Modelling and Innovative Technology, IMIT (CONICET-UNNE), Avda Libertad, W3404AAS 5460, Corrientes, Argentina
Interests: theoretical foundations of quantum physics and quantum electrodynamics; magnetic properties in atomic and molecular systems; theory, models and applications of NMR spectroscopy to the understanding of properties and dynamics of small, medium and large molecular systems; interpretations of quantum physics; relationship between physics, philosophy and theology

Prof. Dr. Ping-Zhan Si

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College of Materials Science and Engineering, China Jiliang University, Hangzhou 310018, China
Interests: nanomagnetism; magnetic materials

Special Issue Information

Dear Colleagues

Magnetochemistry, the open access journal launched to publish research in all areas of magnetism and magnetic materials, celebrates its 10th anniversary this year. Launched in 2015, Magnetochemistry has published more than 1000 articles covering all aspects in the field including magnetic materials (from molecules to metal–organic frameworks), magnetic properties (from single-molecule/ion/chain magnets to spin-crossover and magnetic ordering), theoretical models and all kind of applications (from magnetocaloric materials to magnetic recording and magnetic resonances). All these contributions have placed Magnetochemistry among the top journals covering the field (you can see the statistics of the journal at https://www.mdpi.com/journal/magnetochemistry/stats).

To celebrate its success and its 10th anniversary and, especially, to thank the enthusiastic and continuous support of so many readers, authors, reviewers and editors from the very beginning, we wish to launch a Special Issue entitled ‘10th Anniversary of Magnetochemistry: Past, Present and Future’. Researchers in any field of magnetochemistry are invited to contribute to this Special Issue with either reviews of the hottest topics in the field, featured articles with current and future challenges in the field or with original contributions. We intend to cover all the fields and to include critical reviews and feature articles to present the state of the art and the future of the magnetochemistry field.

Prof. Dr. Carlos J. Gómez García
Prof. Dr. Zheng Gai
Prof. Dr. Gustavo A. Aucar
Prof. Dr. Ping-Zhan Si
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 250 words) can be sent to the Editorial Office for assessment.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-anonymized peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Magnetochemistry is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2200 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

magnetic materials
molecular magnetism
magnetic metal–organic frameworks (MOFs)
single-molecule, ion, and chain magnets (SMMs, SIMs, and SCMs)
spin crossover (SCO) materials
magnetic nanostructures
magnetic recording
magnetocaloric materials
qubits
theoretical models and calculations
applications of magnetic materials
magnetic resonances in chemistry
magnetic field

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Published Papers (11 papers)

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Research

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25 pages, 2581 KB

Open AccessArticle

The Analysis of NMR Magnetic Shieldings of Transition Metal (M)-Containing Molecules, M Belonging to Groups IIB, VIB and VIIIB, by Applying the LRESC-Loc Model

by Andy D. Zapata-Escobar, Alejandro F. Maldonado and Gustavo A. Aucar

Magnetochemistry 2026, 12(8), 92; https://doi.org/10.3390/magnetochemistry12080092 - 19 Aug 2026

Viewed by 418

Abstract

We studied the electronic origin of the NMR nuclear magnetic shieldings (

σ

) of compounds containing the following transition metal atoms:

M =

Zn, Cd, Hg, Co, Rh, Cr, Mo, W. The electronic mechanisms that underlie the relativistic effects on those shieldings [...] Read more.

We studied the electronic origin of the NMR nuclear magnetic shieldings (

σ

) of compounds containing the following transition metal atoms:

M =

Zn, Cd, Hg, Co, Rh, Cr, Mo, W. The electronic mechanisms that underlie the relativistic effects on those shieldings were assessed with the LRESC–Loc model, which permits one to quantify the set of leading relativistic electronic mechanisms responsible for such effects in terms of well-known non-relativistic operators, and also allows for the determination of which molecular orbitals (MOs) are involved in each of those mechanisms. These MOs are such that the chemist’s intuition associated with core, lone-pair (LP), and bonding MOs is satisfied. The LRESC model is a reliable semi-relativistic methodology that has been shown to reproduce, in a semiquantitative manner, the magnetic shieldings and experimental chemical shifts of transition metals in a large set of molecules. Several new features appear in the shieldings analyzed. Trends in the total shieldings within a given family of compounds depend on relativistic effects—the spin-orbit mechanism is one of the most involved—though, within it, one must consider the Fermi contact (FC) and the spin-dipolar (SD) mechanisms. We found that the contributions that are due to partially filled d atomic orbitals (AOs) become too large when the electron correlation is not properly included. This is overcome in our case using density functional theory. A large influence of lone-pairs of

π

-type on

σ

(M) is also seen in some of the molecules studied. Full article

(This article belongs to the Special Issue 10th Anniversary of Magnetochemistry: Past, Present and Future)

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20 pages, 13720 KB

Open AccessArticle

Microstructural Control Through Precipitation Engineering in Fe-Pd-Ga Ferromagnetic Shape Memory Ribbons: Martensitic Transformation Behavior, Magnetoelastic and Magnetic Response

by Mihaela Sofronie and Monica Enculescu

Magnetochemistry 2026, 12(7), 73; https://doi.org/10.3390/magnetochemistry12070073 - 3 Jul 2026

Viewed by 666

Abstract

Melt-spun Fe_70−xPd₃₀Ga_x ribbons (x = 1 and 3 at.% Ga) were heat-treated at 1223 K for 1 h and 2 h and characterized by X-ray diffraction, scanning electron microscopy, differential scanning calorimetry, magnetometry, and magnetoelastic measurements. Increasing Ga content decreases thermodynamic equilibrium temperature from 292.0 K (1 at.% Ga) to 283.5 K (3 at.% Ga) in as-prepared ribbons. Extended heat treatment then shifts it to 288.0 K and 264.5 K, respectively, and promotes Fe-rich precipitation. Fine precipitates at 1 h preserve a large transformable matrix fraction and introduce microstructural heterogeneity that governs variant mobility and domain-wall pinning; prolonged annealing triggers coalescence, depleting the matrix and reducing both the transformation heat and the magnetoelastic response. Kissinger analysis yields apparent activation energies of 338 kJmol⁻¹ (1 at.% Ga) and 228 kJmol⁻¹ (3 at.% Ga), confirming that higher Ga content lowers the transformation energy barrier. The magnetostrictive response depends on annealing: 1 h-annealed samples exhibit field-induced variant reorientation and saturation magnetostriction of ~60 ppm at 200 K, whereas 2 h-annealed samples approach volume-conserving behavior. Coercivity scales with precipitate density, with Ga3-2h showing anomalously soft magnetic behavior following coalescence. Thermally induced precipitation thus emerges as a route to simultaneously control microstructure, transformation kinetics, magnetoelastic response, and magnetic behavior in ferromagnetic shape memory alloys. Full article

(This article belongs to the Special Issue 10th Anniversary of Magnetochemistry: Past, Present and Future)

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20 pages, 1279 KB

Open AccessArticle

Spin Switching in Crystals Containing Tetranuclear Fe₂Co₂ Clusters as Structural Units: Interplay of Intra- and Intercluster Interactions

by Sophia I. Klokishner and Serghei M. Ostrovsky

Magnetochemistry 2026, 12(5), 59; https://doi.org/10.3390/magnetochemistry12050059 - 20 May 2026

Viewed by 755

Abstract

A microscopic model has been elaborated for the description of charge transfer-induced spin transitions in crystals containing tetranuclear Fe₂Co₂ clusters as structural units. The model takes into account the energy spectrum of each Fe₂Co₂ cluster, formed by the states arising from its initial configuration, two low-spin Fe^II and two low-spin Co^III, final configuration two low-spin Fe^III, and two high-spin Co^II, as well as the states that originate from four intermediate configurations of the type of low-spin Fe^II, low-spin Co^III, low-spin Fe^III, and high-spin Co^II. Two different types of cooperative interactions are accounted for in the model, namely, the electron–deformational coupling arising as a result of the observed elongation of the cobalt-nitrogen bonds under the low-spin Co^III

\to

high-spin Co^II transition and the interaction via the field of phonons that originates from the coupling of the Co-ions with the full symmetric displacements of the nearest ligand surrounding, which are modulated by crystalline vibrations. The role of cooperative interactions is discussed in detail. Different types of spin transitions are predicted, including the gradual and abrupt ones as well as those manifesting hysteretic behavior. Within the framework of the developed approach, a qualitative and quantitative explanation of the experimental data on the {[(Tp*)Fe(CN)₃]₂[Co(bpy^Me)₂]₂}(OTf)₂·2DMF·H₂O compound recently reported oniere is given. Full article

(This article belongs to the Special Issue 10th Anniversary of Magnetochemistry: Past, Present and Future)

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21 pages, 4166 KB

Open AccessArticle

Band Structure Calculations and Magnetic Properties of HoCo₃₋_xSi_x Compounds

by Coriolan Tiușan, Roxana Dudric, Maria Căpățînă, Radu George Hațegan and Romulus Tetean

Magnetochemistry 2026, 12(5), 51; https://doi.org/10.3390/magnetochemistry12050051 - 5 May 2026

Viewed by 908

Abstract

The structural and magnetic properties and band structure results of HoCo₃₋_xSi_x compounds are reported. First-principles GGA+U+SO calculations, compared with magnetometry experiments, provide deep insight on the magnetic properties of the HoCo₃ compound. They show that HoCo₃ is a robust ferrimagnet, with strongly localized Ho-4f moments in excellent agreement with neutron data and itinerant Co-3d magnetism, where inclusion of the interstitial contribution brings the Co moments into very good agreement with the experimental data. The electronic structure reveals sharp Ho-4f states well below E_F, exchange-split Co-3d bands crossing E_F, and noticeable Ho-5d–Co-3d hybridization that mediates the antiparallel Ho–Co coupling and explains the non-negligible interstitial moment, providing a consistent microscopic picture that supports the experimentally observed increase in magnetization upon Co-Si substitution. Metamagnetic transitions are shown in magnetization isotherms. The observed transitions are broad and can be explained by the distribution of internal magnetic fields which arises from differences in the local environments of cobalt atoms. The magnetic properties were correlated with the theoretical results. Two transitions were revealed below room temperature, one due to a transition to a noncollinear magnetic structure and the other due to a temperature-induced metamagnetic transition. Full article

(This article belongs to the Special Issue 10th Anniversary of Magnetochemistry: Past, Present and Future)

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13 pages, 3105 KB

Open AccessArticle

Predicting Pt-195 NMR Chemical Shift in Pt(II)-Sn(II) Complexes

by Milena A. Pereira, Larissa P. N. M. Pinto, Hélio F. Dos Santos and Diego F. S. Paschoal

Magnetochemistry 2026, 12(4), 49; https://doi.org/10.3390/magnetochemistry12040049 - 13 Apr 2026

Viewed by 1167

Abstract

Platinum chemistry covers a wide range of applications, including homogeneous and heterogeneous catalysis as well as cancer therapy. Numerous Pt complexes have been synthesized and studied in recent years, with NMR spectroscopy serving as the primary technique for structural characterization. The ¹⁹⁵Pt nucleus has favorable features for NMR studies, being highly sensitive to ligand type and structural environment. From a computational perspective, factors such as solvent effects, relativistic corrections, and the electronic structure of the ligands strongly influence the calculated NMR parameters. Consequently, establishing a general computational protocol for ¹⁹⁵Pt NMR prediction remains a challenging task. In this work, we present a systematic validation and extension of our previously developed computational protocol, originally proposed for Pt(II) complexes, in studying ¹⁹⁵Pt NMR chemical shifts in Pt(II)-Sn(II) complexes. A benchmark set of 100 Pt(II)-Sn(II) complexes was analyzed, yielding good agreement with experimental data (R² = 0.86, MRD = 3.6%, MAD = 163 ppm), which is remarkable given the structural diversity and broad range of chemical shifts covered. Full article

(This article belongs to the Special Issue 10th Anniversary of Magnetochemistry: Past, Present and Future)

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23 pages, 3243 KB

Open AccessArticle

Magnetic Drug Targeting Under Pulsatile Flow: A Safety-Constrained Framework for Deposition and Retention Stability

by Sandor I. Bernad and Elena S. Bernad

Magnetochemistry 2026, 12(4), 40; https://doi.org/10.3390/magnetochemistry12040040 - 1 Apr 2026

Cited by 1 | Viewed by 770

Abstract

Magnetic drug targeting (MDT) is commonly evaluated by peak accumulation at the target site. Under pulsatile flow, however, initial deposition does not predict sustained localisation. We introduce the Magnetic Targeting Optimisation Concept (M-TOC), a safety-constrained framework that restructures MDT evaluation by separating geometric deposition from retention stability and embedding both within a defined hemodynamic safety window. Deposition (D) was quantified by using obstruction degree at the injection end, OD(T0), and restricted by a structural admissibility limit (OD_max = 40%). Retention stability (R) was quantified using early washout at T0 + 30 s and an apparent half-life (τ_1/2) derived from coverage decay under controlled pulsatile washout. These descriptors were integrated into a Unified Targeting Score (UTS), applied only within the admissible domain, thereby enforcing feasibility before optimisation. Three PEG-functionalised magnetoresponsive nanocluster formulations were evaluated under identical magnetic and flow conditions. D–R mapping identified distinct operating regimes and showed that no tested configuration simultaneously achieved admissible deposition and robust pulsatile stability. By formalising MDT as a constrained multi-objective problem, M-TOC provides an objective method for regime discrimination and a transferable design principle for stability-guided targeting under physiological flow. Full article

(This article belongs to the Special Issue 10th Anniversary of Magnetochemistry: Past, Present and Future)

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12 pages, 3286 KB

Open AccessArticle

Long-Range Interaction and Magnetic Anisotropy of [(CoP)_hard/(NiP)_am/(CoP)_am/(NiP)_am]_n Superlattices

by Gennadiy S. Patrin, Vitaliy A. Orlov, Yaroslav G. Shiyan and Aleksandr V. Kobyakov

Magnetochemistry 2026, 12(3), 33; https://doi.org/10.3390/magnetochemistry12030033 - 5 Mar 2026

Viewed by 662

Abstract

We present a study of [(CoP)_soft/(NiP)_am/(CoP)_hard/(NiP)_am]_n (n ≤ 20) magnetic superlattices (t_CoP = 5 nm, t_NiP = 4 nm) synthesized via chemical bath deposition (CBD). Atomic force microscopy reveals that the soft magnetic layer is fine-grained (amorphous), whereas the hard magnetic layer exhibits a polycrystalline hexagonal structure. The results demonstrate a long-range interlayer interaction whose magnitude depends on the number of blocks (n). This interaction manifests as multiple resonance peaks in the magnetic resonance spectra: three peaks were observed for structures with n = 5, 10, and 15, while two peaks were identified for n = 20. Temperature dependencies of the interlayer interaction fields were obtained: the interaction between the nearest magnetically hard and soft layers is negative (H_J1 < 0), while the interaction between the soft layers (H_J2) undergoes a sign reversal from positive to negative with increasing temperature at a threshold temperature depending on n. The oscillations of the magnetization saturation field correlate with the magnetic anisotropy fields. Full article

(This article belongs to the Special Issue 10th Anniversary of Magnetochemistry: Past, Present and Future)

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17 pages, 3195 KB

Open AccessArticle

Nonequilibrium Magnetothermal Effects in Anisotropic 3d-Metal Complexes with Arbitrary Spins

by Andrew Palii, Valeria Belonovich and Boris Tsukerblat

Magnetochemistry 2026, 12(3), 29; https://doi.org/10.3390/magnetochemistry12030029 - 2 Mar 2026

Cited by 1 | Viewed by 652

Abstract

In this article, we extend the recently proposed theoretical framework for nonequilibrium magnetothermal effects induced by a sudden magnetic field quenching to anisotropic 3d-metal complexes with arbitrary spins. The formalism is applicable not only to the case of complete magnetic field switching off, but also to the case of partial field quenching. A simple and universal semiquantitative rule is formulated, which allows for the prediction of the sign of a thermal effect (that means heat absorption or heat release) from the magnetic field dependencies of the spin energy levels. In many specific cases, this rule can be used to predict the sign of the magnetothermal effect prior to calculations, based on an analysis of the field dependencies of the spin levels of the complexes under study. According to this rule, each excited state contributes to cooling or heating depending on whether it becomes destabilized or stabilized as the field decreases. The performed numerical analysis of the specific heat release, as a function of temperature and initial and final magnetic fields for complexes with spins S = 1, 3/2, 2, and 5/2, demonstrates that systems with easy-axis magnetic anisotropy (D < 0) exhibit heat absorption in cases of complete and incomplete field quenching, with the effect being strongly enhanced in the latter case. In contrast, in complexes with easy-plane-type anisotropy (D > 0), the sign of the thermal effect is shown to be dependent on the temperature, the initial and final values of the magnetic field, and also on whether the spin of the complex is integer or half-integer. These results provide clear and practical guidelines for the design of low-temperature molecular magnetic refrigerants operating in fast field-quenching regimes. Full article

(This article belongs to the Special Issue 10th Anniversary of Magnetochemistry: Past, Present and Future)

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22 pages, 3229 KB

Open AccessArticle

Influence of the Polarizing Magnetic Field and Volume Fraction of Nanoparticles in a Ferrofluid on the Specific Absorption Rate (SAR) in the Microwave Range

by Iosif Malaescu, Paul C. Fannin, Catalin N. Marin and Madalin O. Bunoiu

Magnetochemistry 2026, 12(1), 5; https://doi.org/10.3390/magnetochemistry12010005 - 30 Dec 2025

Viewed by 777

Abstract

For the study, we used four kerosene-based ferrofluid samples containing magnetite nanoparticles stabilized with oleic acid. Starting from the initial sample (A0), the other three samples were obtained by dilution with kerosene. The complex magnetic permeability measurements were performed in the microwave region (0.5–6) GHz, for different H values of the polarizing magnetic field, between (0–115) kA/m. These measurements revealed the ferromagnetic resonance phenomenon for each sample, allowing the determination of the anisotropy field (H_A) and the effective anisotropy constant (K_eff) of nanoparticles, depending on the volume fraction of particles (φ). At the same time, the measurements allowed the determination of the specific magnetic loss power (p_m), effective heating rate (HR_eff), intrinsic loss power (ILP), and specific absorption rate (SAR) as functions of the frequency (f) and magnetic field (H), of all investigated samples, using newly proposed equations for their calculation. For the first time, this study evaluates the maximum limit of the applied polarizing magnetic field (H_max ≈ 80 kA/m) and the minimum limit volume fraction of nanoparticles (φ_min ≈ 3.5%) at which microwave heating of the ferrofluid remains efficient. At the same time, the results obtained show that the temperature increase of the ferrofluid samples, upon interaction with a microwave field, can be controlled by varying both H and φ, pointing to possible applications in magnetic hyperthermia. Full article

(This article belongs to the Special Issue 10th Anniversary of Magnetochemistry: Past, Present and Future)

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14 pages, 2038 KB

Open AccessArticle

Electronic Influence of Trifluoromethyl Substituents on Benzoate Ligands in Paddlewheel-Type Diruthenium(II,II) Naphthyridine Complexes

by Nozomi Tada, Natsumi Yano, Makoto Handa and Yusuke Kataoka

Magnetochemistry 2025, 11(12), 104; https://doi.org/10.3390/magnetochemistry11120104 - 27 Nov 2025

Cited by 1 | Viewed by 849

Abstract

Two diruthenium(II,II) naphthyridine complexes coordinated with 4-trifluoromethylbenzoate (O₂CPh-4-CF₃) and 3,5-bis(trifluoromethyl)benzoate (O₂CPh-3,5-diCF₃) ligands, formulated as [Ru₂(npc)₂(O₂CPh-4-CF₃)₂] (4; npc = 1,8-naphthyridine-2-carboxylate) and [Ru₂(npc)₂(O₂CPh-3,5-diCF₃)₂] (5), respectively, were synthesized and structurally characterized. Single-crystal X-ray diffraction analysis revealed that both 4 and 5 form a direct metal–metal bond between the two Ru ions (2.2893(8) and 2.2896(7) Å, respectively) and adopt a paddlewheel-type structure in which two npc and two trifluoromethyl-substituted benzoate ligands are coordinated to a Ru₂⁴⁺ core with a cis-2:2 arrangement. The temperature dependence of the magnetic susceptibility measurements of 4 and 5 exhibited very large zero-field splitting (D = 242 and 246 cm⁻¹, respectively) of the triplet ground state of the Ru₂⁴⁺ core, similar to that of [Ru₂(npc)₂(O₂CPh)₂] (3; D = 238 cm⁻¹). Owing to the effects of the trifluoromethyl substituents, compared with 3, 4 and 5 showed (i) a significant blue shift of the absorption bands in the visible region and (ii) a positive shift of the redox potentials, with both shifts becoming more pronounced as the number of trifluoromethyl substituents increased. These experimental results are in good agreement with the electronic structure results obtained from density functional theory calculations. Full article

(This article belongs to the Special Issue 10th Anniversary of Magnetochemistry: Past, Present and Future)

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Review

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14 pages, 488 KB

Open AccessReview

Improving Nuclear Magnetic Dipole Moments: Gas Phase NMR Spectroscopy Research

by Włodzimierz Makulski

Magnetochemistry 2026, 12(1), 12; https://doi.org/10.3390/magnetochemistry12010012 - 16 Jan 2026

Viewed by 1162

Abstract

High-resolution NMR spectroscopy is the leading method for determining nuclear magnetic moments. It is designed to measure stable nuclei, which can be investigated in macroscopic samples. In this work, we discuss the progress in research into light nuclei from the first three periods of the Periodic Table and several selected heavy nuclides. The ¹H and ³He nuclear magnetic moments, established using the new double Penning trap facility, are also considered. Both nuclei can be used as references in gaseous mixtures. Gas-phase NMR spectroscopy enables precise measurements of the frequencies and shielding constants of isolated single molecules. They can be used to determine new, accurate nuclear magnetic moments of nuclides in stable, gaseous substances. Particular attention is paid to the importance of diamagnetic corrections for obtaining accurate results. Finding precise diamagnetic corrections—shielding factors —even for light nuclei in molecules is a significant challenge. To date, nuclear moments have been obtained primarily from experimental data. The theoretical approach is mostly unable to predict these values accurately. Some remarks are also made on pure theoretical treatments of nuclear moments. Full article

(This article belongs to the Special Issue 10th Anniversary of Magnetochemistry: Past, Present and Future)

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