MagnetochemistryPub Date : 2023-06-14DOI: 10.3390/magnetochemistry9060157
H. Tlili, Anis Elaoud, N. Asses, K. Horchani-Naifer, Mounir Ferhi, G. Goya
{"title":"Reduction of Oxidizable Pollutants in Waste Water from the Wadi El Bey River Basin Using Magnetic Nanoparticles as Removal Agents","authors":"H. Tlili, Anis Elaoud, N. Asses, K. Horchani-Naifer, Mounir Ferhi, G. Goya","doi":"10.3390/magnetochemistry9060157","DOIUrl":"https://doi.org/10.3390/magnetochemistry9060157","url":null,"abstract":"Many of the current strategies for removing pollutants from water are based on nanomaterials and nanotechnology. Lower values of Biological Oxygen Demand (BOD5) and Chemical Oxygen Demand (COD) in water results in reduction in the amount of oxidizable pollutants. We present a study on the reduction of COD and BOD5 in water from Wadi El Bey River (Tunisia), using magnetite nanoparticles (MNPs) and magnetic fields. The COD and BOD5 removal reached values higher than 50% after 60 min, with optimum efficiency at pH values of ≈8 and for MNPs concentrations of 1 g/L. The use of a permanent magnetic field (0.33 T) showed an increase of COD and BOD5 removal from 61% to 76% and from 63% to 78%, respectively. This enhancement is discussed in terms of the MNPs coagulation induced by the magnetic field and the adsorption of ionic species onto the MNPs surface due to Fe3O4 affinity.","PeriodicalId":18194,"journal":{"name":"Magnetochemistry","volume":" ","pages":""},"PeriodicalIF":2.7,"publicationDate":"2023-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41712817","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MagnetochemistryPub Date : 2023-06-11DOI: 10.3390/magnetochemistry9060155
Walter Cañón-Mancisidor, P. Hermosilla‐Ibáñez, E. Spodine, V. Paredes-García, C. Gómez‐García, D. Venegas‐Yazigi
{"title":"Spin Frustrated Pyrazolato Triangular CuII Complex: Structure and Magnetic Properties, an Overview","authors":"Walter Cañón-Mancisidor, P. Hermosilla‐Ibáñez, E. Spodine, V. Paredes-García, C. Gómez‐García, D. Venegas‐Yazigi","doi":"10.3390/magnetochemistry9060155","DOIUrl":"https://doi.org/10.3390/magnetochemistry9060155","url":null,"abstract":"The synthesis and structural characterization of a new triangular Cu3–μ3OH pyrazolato complex of formula, [Cu3(μ3−OH)(pz)3(Hpz)3][BF4]2 (1−Cu3), Hpz = pyrazole, is presented. The triangular unit forms a quasi-isosceles triangle with Cu–Cu distances of 3.3739(9), 3.3571(9), and 3.370(1) Å. This complex is isostructural to the hexanuclear complex [Cu3(μ3−OH)(pz)3(Hpz)3](ClO4)2]2 (QOPJIP). A comparative structural analysis with other reported triangular Cu3–μ3OH pyrazolato complexes has been carried out, showing that, depending on the pyrazolato derivative, an auxiliary ligand or counter-anion can affect the nuclearity and/or the dimensionality of the system. The magnetic properties of 1−Cu3 are analyzed using experimental data and DFT calculation. A detailed analysis was performed on the magnetic properties, comparing experimental and theoretical data of other molecular triangular Cu3–μ3OH complexes, showing that the displacement of the μ3−OH− from the Cu3 plane, together with the type of organic ligands, influences the nature of the magnetic exchange interaction between the spin-carrier centers, since it affects the overlap of the magnetic orbitals involved in the exchange pathways. Finally, a detailed comparison of the magnetic properties of 1−Cu3 and QOPJIP was carried out, which allowed us to understand the differences in their magnetic properties.","PeriodicalId":18194,"journal":{"name":"Magnetochemistry","volume":" ","pages":""},"PeriodicalIF":2.7,"publicationDate":"2023-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45676253","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MagnetochemistryPub Date : 2023-06-10DOI: 10.3390/magnetochemistry9060154
Debpriyo Goswami, S. Patra, D. Ray
{"title":"Magneto-Structural Analysis of Hydroxido-Bridged CuII2 Complexes: Density Functional Theory and Other Treatments","authors":"Debpriyo Goswami, S. Patra, D. Ray","doi":"10.3390/magnetochemistry9060154","DOIUrl":"https://doi.org/10.3390/magnetochemistry9060154","url":null,"abstract":"A selection of dimeric Cu(II) complexes with bidentate N,N′ ligands with the general formula [Cu(L)(X)(μ-OH)]2·nH2O and [Cu(L)(μ-OH)]2X2·nH2O were magneto-structurally analyzed using the Density Functional Theory (DFT). A Broken Symmetry-Density Functional Theory (BS-DFT) study was undertaken for these complexes with relevant decomposition schemes that gave insight into the effect of the nature of the ligand and coordination environment on the DFT-predicted coupling constants (J). The impact of the spin population, which correlates well with the Cu-O-Cu bridging angles and the calculated coupling constant (J) values, was studied. The models were further refined using a complete active space self-consistent field (CASSCF) while expanding the active space from 2 orbitals 2 electrons (2,2) to 10 orbitals 18 electrons (18,10). These models were approximated using multireference methods (n-electron valence state perturbation theory and difference dedicated configuration interaction), and a better approximation of J values was found as expected. Orbitals involved in the superexchange pathway were also visualized.","PeriodicalId":18194,"journal":{"name":"Magnetochemistry","volume":" ","pages":""},"PeriodicalIF":2.7,"publicationDate":"2023-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49218720","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Band Structure Evolution during Reversible Interconversion between Dirac and Standard Fermions in Organic Charge-Transfer Salts","authors":"Ryuhei Oka, Keishi Ohara, Kensuke Konishi, Ichiro Yamane, Toshihiro Shimada, Toshio Naito","doi":"10.3390/magnetochemistry9060153","DOIUrl":"https://doi.org/10.3390/magnetochemistry9060153","url":null,"abstract":"Materials containing Dirac fermions (DFs) have been actively researched because they often alter electrical and magnetic properties in an unprecedented manner. Although many studies have suggested the transformation between standard fermions (SFs) and DFs, the non-availability of appropriate samples has prevented the observation of the transformation process. We observed the interconversion process of DFs and SFs using organic charge-transfer (CT) salts. The samples are unique in that the constituents (the donor D and acceptor A species) are particularly close to each other in energy, leading to the temperature- and D-A-combination-sensitive CT interactions in the solid states. The three-dimensional weak D–A CT interactions in low-symmetry crystals induced the continuous reshaping of flat-bottomed bands into Dirac cones with decreasing temperature; this is a characteristic shape of bands that converts the behavior of SFs into that of DFs. Based on the first-principles band structures supported by the observed electronic properties, round-apex-Dirac-cone-like features appear and disappear with temperature variation. These band-structure snapshots are expected to add further detailed understanding to the related research fields.","PeriodicalId":18194,"journal":{"name":"Magnetochemistry","volume":"38 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135051034","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MagnetochemistryPub Date : 2023-06-08DOI: 10.3390/magnetochemistry9060150
A. Berlie, I. Terry, M. Szablewski
{"title":"Driving a Molecular Spin-Peierls System into a Short Range Ordered State through Chemical Substitution","authors":"A. Berlie, I. Terry, M. Szablewski","doi":"10.3390/magnetochemistry9060150","DOIUrl":"https://doi.org/10.3390/magnetochemistry9060150","url":null,"abstract":"Chemically altering molecules can have dramatic effects on the physical properties of a series of very similar molecular compounds. A good example of this is within the quasi-1D spin-Peierls system potassium TCNQ (TCNQ = 7,7,8,8-tetracyanoqunidimethane), where substitution of TCNQF4 for TCNQ has a dramatic effect on the 1D interactions, resulting in a drop in the corresponding spin-Peierls transition temperature. Within this work, we extend the investigation to potassium TCNQBr2, where only two protons of TCNQ can be substituted with bromine atoms due to steric constraints. The new system exhibits evidence for a residual component of the magnetism when probed via magnetic susceptibility measurements and muon spin spectroscopy. The observations suggest that the system is dominated by short range, and potentially disordered, correlations within the bulk phase.","PeriodicalId":18194,"journal":{"name":"Magnetochemistry","volume":"1 1","pages":""},"PeriodicalIF":2.7,"publicationDate":"2023-06-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69616768","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MagnetochemistryPub Date : 2023-06-08DOI: 10.3390/magnetochemistry9060152
D. Salamatin, V. Krasnorussky, M. Magnitskaya, A. Semeno, A. Bokov, A. Velichkov, Z. Surowiec, Anatoly Vasilyevich Tsvyashchenko
{"title":"Some Magnetic Properties and Magnetocaloric Effects in the High-Temperature Antiferromagnet YbCoC2","authors":"D. Salamatin, V. Krasnorussky, M. Magnitskaya, A. Semeno, A. Bokov, A. Velichkov, Z. Surowiec, Anatoly Vasilyevich Tsvyashchenko","doi":"10.3390/magnetochemistry9060152","DOIUrl":"https://doi.org/10.3390/magnetochemistry9060152","url":null,"abstract":"The YbCoC2 compound, which crystallizes in a base-centered orthorhombic unit cell in the Amm2 space group CeNiC2 structure, is unique among Yb-based compounds due to the highest magnetic ordering temperature of TN=27 K. Magnetization measurements have made it possible to plot the H-T magnetic phase diagram and determine the magnetocaloric effect of this recently discovered high-temperature heavy-fermion compound, YbCoC2. YbCoC2 undergoes spin transformation to the spin-polarized state through a metamagnetic transition in an external magnetic field. The transition is found to be of the first order. The dependencies of magnetic entropy change ΔSm(T)—have segments with positive and negative magnetocaloric effects for ΔH≤6 T. For ΔH=9 T, the magnetocaloric effect becomes positive, with a maximum ΔSm(T) value of 4.1 J (kg K)−1 at TN and a refrigerant capacity value of 56.6 J kg−1.","PeriodicalId":18194,"journal":{"name":"Magnetochemistry","volume":" ","pages":""},"PeriodicalIF":2.7,"publicationDate":"2023-06-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45650289","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MagnetochemistryPub Date : 2023-06-08DOI: 10.3390/magnetochemistry9060151
A. Kalenskii, A. Ivanov, D.B. Sevostyanov, A. Zvekov, A. Krechetov
{"title":"The Adsorption Performance of Porous Activated Carbons Prepared from Iron (II) Precursors Precipitated on the Porous Carbon Matrix Thermolysis","authors":"A. Kalenskii, A. Ivanov, D.B. Sevostyanov, A. Zvekov, A. Krechetov","doi":"10.3390/magnetochemistry9060151","DOIUrl":"https://doi.org/10.3390/magnetochemistry9060151","url":null,"abstract":"The creation of new compounds featuring high adsorption and catalytic performance with magnetic properties of the material is one of the important fields of magnetochemistry. The typical synthetic schemes of magnetic carbonaceous adsorbents are rather complicated due to the use of inert atmosphere and difficult wet methods of magnetite precipitation. The arising experimental issues prevent industrial production of magnetically activated carbons. In order to overcome these obstacles, we suggested a novel approach to porous carbons: magnetite composite synthesis based on iron (II) salt precipitation on porous carbon and subsequent thermolysis. We facilitated the process at the stage of the material washing. The synthetic route used is simple and can be applied industrially. The present paper is focused on the adsorption performance of a product prepared from commercial activated carbons BAU-A and AG-3. The porous structure was studied with low-temperature nitrogen adsorption that revealed surface area decreased by 26% in the case of BAU-A and 40% in the case of AG-3 with an increase in mesopore volume. Phenol and nitrobenzene adsorption from water solution was tested with magnetic carbon prepared from BAU-A. The adsorption isotherms obtained are described well using the Langmuir model. The limiting adsorption value in the case of magnetic porous carbon is lower than in the case of pristine carbon. The relative decrease in limiting adsorption value is close to the relative decrease in the specific surface area. The adsorption constant remains the same, showing that adsorption centers of phenol and nitrobenzene are the same for porous magnetic carbon and its activated carbon precursor. Thus, we showed in the present study that the magnetically activated carbons we developed almost retain the adsorption performance of their activated carbon precursors.","PeriodicalId":18194,"journal":{"name":"Magnetochemistry","volume":" ","pages":""},"PeriodicalIF":2.7,"publicationDate":"2023-06-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45109343","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MagnetochemistryPub Date : 2023-06-05DOI: 10.3390/magnetochemistry9060149
Michael Schobesberger, Simone Helmhagen, Stefan Mende, S. Berensmeier, P. Fraga-García
{"title":"From Micro to Nano: Grinding Natural Magnetite Ore for Microalgae Harvesting","authors":"Michael Schobesberger, Simone Helmhagen, Stefan Mende, S. Berensmeier, P. Fraga-García","doi":"10.3390/magnetochemistry9060149","DOIUrl":"https://doi.org/10.3390/magnetochemistry9060149","url":null,"abstract":"Microalgae represent a promising feedstock for sustainable biomass and energy. The low cell concentration after cultivation, however, limits the current application fields. Magnetic microalgae harvesting is a recent approach to overcome the economic limitations of exploiting this natural resource. Accordingly, different particle types have been applied, mainly synthetically produced magnetic nanoparticles, though none on an industrial scale. Particle sizes between a few micrometers and a few nanometers have not been tested. We expected 200–500 nm to be advantageous for harvesting and as a compromise between the highly available surface and good separation properties. However, this intermediate magnetite particle size between the micro- and nano-scale cannot be reached via chemical synthesis. Therefore, we ground natural magnetite ore in a planetary ball mill and an agitator bead mill producing particles in the targeted size range. Applying ore particles ground from ~6 µm to 250 nm yields harvesting efficiencies comparable to synthetically produced nanoparticles (Ø ~ 10 nm), with only half the BET surface. Complete harvesting of saline microalgae Microchloropsis salina is possible with ground particles at alkaline pH. We demonstrate the feasibility of a harvesting process with natural, low-cost, easily separable, and readily available magnetite ore particles as a promising step towards exploiting valuable microalgal products in life sciences.","PeriodicalId":18194,"journal":{"name":"Magnetochemistry","volume":" ","pages":""},"PeriodicalIF":2.7,"publicationDate":"2023-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43404319","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MagnetochemistryPub Date : 2023-06-02DOI: 10.3390/magnetochemistry9060148
W. Makulski, Mateusz A. Słowiński, P. Garbacz
{"title":"Nuclear Dipole Moments and Shielding Constants of Light Nuclei Measured in Magnetic Fields","authors":"W. Makulski, Mateusz A. Słowiński, P. Garbacz","doi":"10.3390/magnetochemistry9060148","DOIUrl":"https://doi.org/10.3390/magnetochemistry9060148","url":null,"abstract":"Nuclear magnetic resonance (NMR) is a branch of spectroscopy commonly used for identifying the chemical structure of various materials. One of the areas in which NMR provides accurate data is the determination of nuclear magnetic moments. This work reviews NMR experiments with the nuclei of light elements in simple molecules. Since nuclear shielding constants from up-to-date quantum calculations are now available, very accurate dipole moments of many nuclei can be determined. Recent experimental measurements of 1H, 2H, 3H, 3He, 6Li, 7Li, 9Be, 10B, and 11B nuclear magnetic moments and the appropriate theoretical predictions are presented and commented upon. Several achievements in this field using different methodologies, such as NMR spectroscopy, molecular beam experiments, and the Penning trap method are reported.","PeriodicalId":18194,"journal":{"name":"Magnetochemistry","volume":" ","pages":""},"PeriodicalIF":2.7,"publicationDate":"2023-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42690332","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MagnetochemistryPub Date : 2023-05-30DOI: 10.3390/magnetochemistry9060146
Zhanyuan Xu, Wei Zhao, Jie-fu Liu, J. Fan
{"title":"Research on the Surfactant-Assisted Synthesis of MnZn Ferrite Precursor Powders","authors":"Zhanyuan Xu, Wei Zhao, Jie-fu Liu, J. Fan","doi":"10.3390/magnetochemistry9060146","DOIUrl":"https://doi.org/10.3390/magnetochemistry9060146","url":null,"abstract":"MnZn ferrite precursor powders were prepared by the nano in situ composite method. Three surfactants, which include polyethylene glycol 400 (PEG-400), cetyltrimethyl ammonium bromide (CTAB), and sodium dodecyl sulfate (SDS), were usedM and the impact of the surfactants on the precursor sol solutions and precursor powders was studied. X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, Raman spectroscopy, a field emission scanning electron microscope (FE-SEM), a transmission electron microscope (TEM), a Zeta potential meter, a BET surface analyzer, and a vibrational sample magnetometer (VSM) were used to characterize the precursor sol solutions and the precursor powders. The results showed that these surfactants can improve the dispersion state and Zeta potentials of sol particles and increase the specific surface areas of the precursor powders. Moreover, the precursor powders were composed of MnZn ferrite, and some were amorphous. CTAB was the optimum surfactant and the zeta potential of the sol particles and the specific surface area of the precursor powders named P-0.1CTAB are 10.7 mV and 129.07 m2/g, respectively. In addition, the nano-particles that were made up of the P-0.1CTAB precursor powders had smaller sizes and more uniform particle distributions than the others. The magnetic properties’ improvement was attributed to the addition of surfactants, and CTAB is the optimal type. In addition, the novel nano in situ composite method will inspire fresh thinking and investigation into the research of ferrite.","PeriodicalId":18194,"journal":{"name":"Magnetochemistry","volume":" ","pages":""},"PeriodicalIF":2.7,"publicationDate":"2023-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42132890","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}