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Inorganics, Volume 11, Issue 2 (February 2023) – 43 articles

Cover Story (view full-size image): Drift-diffusion simulation reveals that recombination pathways in perovskite solar cells (PSCs) will react to the variation in charge carrier distribution induced by ion migration in absorber layers, which leads to hysteresis in PSCs. The impact of both bulk recombination in perovskite absorbers and interface recombination on the surface or bottom of perovskites is obvious. Moreover, the connection between the carrier recombination pathway and hysteresis in the fabricated PSCs with different electron transport layers (ETLs) is experimentally verified. View this paper
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23 pages, 5644 KiB  
Article
Optimal Choice of the Preparation Procedure and Precursor Composition for a Bulk Ni–Mo–W Catalyst
by Ksenia A. Nadeina, Sergey V. Budukva, Yuliya V. Vatutina, Polina P. Mukhacheva, Evgeniy Yu. Gerasimov, Vera P. Pakharukova, Igor P. Prosvirin, Tatyana V. Larina, Oleg V. Klimov, Aleksandr S. Noskov and Victor V. Atuchin
Inorganics 2023, 11(2), 89; https://doi.org/10.3390/inorganics11020089 - 20 Feb 2023
Cited by 4 | Viewed by 1419
Abstract
Among the known synthesis procedures and reagents for unsupported Ni–Mo–W catalysts, there is no consensus about optimal preparation conditions of their precursors. In the present work, Ni–Mo–W precursors were prepared via three preparation techniques—hydrothermal synthesis, precipitation method and spray drying—after the synthesis of [...] Read more.
Among the known synthesis procedures and reagents for unsupported Ni–Mo–W catalysts, there is no consensus about optimal preparation conditions of their precursors. In the present work, Ni–Mo–W precursors were prepared via three preparation techniques—hydrothermal synthesis, precipitation method and spray drying—after the synthesis of complex compounds in solution. Ni–Mo–W precursors were studied by the XRD analysis, SEM methods, Raman and UV-vis spectroscopies and XPS measurements and used for the hydrotreatment of straight-run gasoil. Precursors prepared by hydrothermal synthesis contain particles with stacked plate shapes, while other methods provide spherical particles. The formation of different amounts of individual molybdates, tungstates or mixed phases such as W1−xMoxO3 possibly doped by Ni was detected. The precipitation technique results in the formation of spheres, with W located at the center and is unavailable for catalysis. The catalytic activity increased when all active metals are available for the feedstock, and a more mixed phase containing Ni, Mo and W is formed. This mixed phase is realized when the synthesis of the Ni–Mo–W precursors is carried out in solution followed by spray drying. The resulting catalyst has 1.2–4 times higher activity than catalysts prepared by other methods. Full article
(This article belongs to the Special Issue Inorganics for Catalysts: Design, Synthesis and Applications)
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27 pages, 5842 KiB  
Review
Green Energy by Hydrogen Production from Water Splitting, Water Oxidation Catalysis and Acceptorless Dehydrogenative Coupling
by Jesús Antonio Luque-Urrutia, Thalía Ortiz-García, Miquel Solà and Albert Poater
Inorganics 2023, 11(2), 88; https://doi.org/10.3390/inorganics11020088 - 20 Feb 2023
Cited by 9 | Viewed by 3075
Abstract
In this review, we want to explain how the burning of fossil fuels is pushing us towards green energy. Actually, for a long time, we have believed that everything is profitable, that resources are unlimited and there are no consequences. However, the reality [...] Read more.
In this review, we want to explain how the burning of fossil fuels is pushing us towards green energy. Actually, for a long time, we have believed that everything is profitable, that resources are unlimited and there are no consequences. However, the reality is often disappointing. The use of non-renewable resources, the excessive waste production and the abandonment of the task of recycling has created a fragile thread that, once broken, may never restore itself. Metaphors aside, we are talking about our planet, the Earth, and its unique ability to host life, including ourselves. Our world has its balance; when the wind erodes a mountain, a beach appears, or when a fire devastates an area, eventually new life emerges from the ashes. However, humans have been distorting this balance for decades. Our evolving way of living has increased the number of resources that each person consumes, whether food, shelter, or energy; we have overworked everything to exhaustion. Scientists worldwide have already said actively and passively that we are facing one of the biggest problems ever: climate change. This is unsustainable and we must try to revert it, or, if we are too late, slow it down as much as possible. To make this happen, there are many possible methods. In this review, we investigate catalysts for using water as an energy source, or, instead of water, alcohols. On the other hand, the recycling of gases such as CO2 and N2O is also addressed, but we also observe non-catalytic means of generating energy through solar cell production. Full article
(This article belongs to the Special Issue Inorganics for Catalysts: Design, Synthesis and Applications)
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12 pages, 638 KiB  
Perspective
“Semi-Long-Periodical” Tabulated Version of Chemical Elements Periodic System
by Oleg V. Mikhailov
Inorganics 2023, 11(2), 87; https://doi.org/10.3390/inorganics11020087 - 20 Feb 2023
Viewed by 1191
Abstract
A possible modification of the tabulated version of the Chemical Elements Periodical System, proposed to overcome deficiencies of the two most used versions—the “short-periodical” proposed by Mendeleev and the “long-periodical” introduced by Werner and recommended by IUPAC at the present time—is discussed in [...] Read more.
A possible modification of the tabulated version of the Chemical Elements Periodical System, proposed to overcome deficiencies of the two most used versions—the “short-periodical” proposed by Mendeleev and the “long-periodical” introduced by Werner and recommended by IUPAC at the present time—is discussed in this paper. Full article
14 pages, 7866 KiB  
Article
Comparative Study of Lithium Halide-Based Electrolytes for Application in Lithium-Sulfur Batteries
by Eleonora Venezia, Pejman Salimi, Shanshan Liang, Silvio Fugattini, Lorenzo Carbone and Remo Proietti Zaccaria
Inorganics 2023, 11(2), 86; https://doi.org/10.3390/inorganics11020086 - 19 Feb 2023
Cited by 3 | Viewed by 2472
Abstract
Among the next-generation energy storage technologies, lithium-sulfur batteries are considered one of the most appealing solutions owing to their remarkable theoretical capacity. However, to become commercially competitive, there is a strong need to address some issues still characterizing this technology. One of the [...] Read more.
Among the next-generation energy storage technologies, lithium-sulfur batteries are considered one of the most appealing solutions owing to their remarkable theoretical capacity. However, to become commercially competitive, there is a strong need to address some issues still characterizing this technology. One of the explored strategies is the optimization of the electrolyte formulation. To this aim, we compared 1,3-dioxolane/1,2-dimethoxyethane-based electrolytes containing two lithium halides, i.e., lithium bromide (LiBr) and lithium iodide (LiI), with lithium bis (trifluoromethane)sulfonylimide (LiTFSI) as a reference electrolyte. The obtained results show how the donicity of the lithium-salt anions might affect the solid electrolyte interphase stability and the lithium sulfide deposition morphology, therefore influencing the electrochemical performance of the cells. Among the tested electrolytes, the sulfur cell containing LiBr salt exhibited the best electrochemical performance maintaining a specific capacity of 900 mAh g−1 at C/4 and a stable trend along cycling at 1C with a specific capacity of about 770 mAh g−1 for 200 cycles. Full article
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18 pages, 3646 KiB  
Article
Main Issues in the Synthesis and Testing of Thermocatalytic Ce-Doped SrFeO3 Perovskites for Wastewater Pollutant Removal
by Davide Palma, Francesca Deganello, Leonarda Francesca Liotta, Valeria La Parola, Alessandra Bianco Prevot, Mery Malandrino, Enzo Laurenti, Vittorio Boffa and Giuliana Magnacca
Inorganics 2023, 11(2), 85; https://doi.org/10.3390/inorganics11020085 - 17 Feb 2023
Cited by 5 | Viewed by 1625
Abstract
The effect of the synthesis and processing parameters on the thermocatalytic performance of Ce-doped SrFeO3 inorganic perovskites was investigated to improve the reproducibility and reliability of the synthetic methodology and of the testing procedure. A structural, surface and redox characterization was performed [...] Read more.
The effect of the synthesis and processing parameters on the thermocatalytic performance of Ce-doped SrFeO3 inorganic perovskites was investigated to improve the reproducibility and reliability of the synthetic methodology and of the testing procedure. A structural, surface and redox characterization was performed to check the extent of variability in the chemical–physical properties of the prepared materials, revealing that a strict control of the synthesis parameters is indeed crucial to optimize the thermocatalytic properties of Ce-doped SrFeO3 inorganic perovskites. The thermocatalytic tests, aimed to degrade organic pollutants in water, were performed using Orange II and Bisphenol A as target compounds, in view of a later technological application. The main issues in the synthesis and testing of Ce-doped SrFeO3 perovskite thermocatalysts are highlighted and described, giving specific instructions for the resolution of each of them. A limited number of prepared materials showed an efficient thermocatalytic effect, indicating that a full gelification of the sol, an overstoichiometric reducer-to-oxidizer ratio, a nominal cerium content of 15 mol%, slightly higher than its solubility limit (i.e., 14 mol%), a pH of 6 and a thermal treatment at 800 °C/2 h are the best synthesis conditions to obtain an effective Ce-doped SrFeO3 perovskite. Regarding the testing conditions, the best procedure is to follow the degradation reaction without any preconditioning with the pollutant at room temperature. The severe leaching of the active perovskite phase during tests conducted at acidic pH is discussed. Briefly, we suggest confining the application of these materials to a limited pH range. Variability between thermocatalysts prepared in two different laboratories was also checked. The issues discussed and the proposed solutions overcome some of the obstacles to achieving a successful scale up of the synthesis process. Our results were favorable in comparison to those in the literature, and our approach can be successfully extended to other perovskite catalysts. Full article
(This article belongs to the Special Issue New Advances into Nanostructured Oxides)
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21 pages, 1840 KiB  
Review
Effects of Boron-Containing Compounds on Liposoluble Hormone Functions
by Elizabeth Estevez-Fregoso, Ahmet Kilic, Diana Rodríguez-Vera, Luis E. Nicanor-Juárez, C. Elena M. Romero-Rizo, Eunice D. Farfán-García and Marvin A. Soriano-Ursúa
Inorganics 2023, 11(2), 84; https://doi.org/10.3390/inorganics11020084 - 17 Feb 2023
Cited by 9 | Viewed by 3891
Abstract
Boron-containing compounds (BCC), particularly boronic acids and derivatives, are being increasingly tested as diagnostic and therapeutic agents. Some effects of BCC involve phenomena linked to the action of steroid or thyroid hormones; among these, are the effects on muscle mass or basal metabolism. [...] Read more.
Boron-containing compounds (BCC), particularly boronic acids and derivatives, are being increasingly tested as diagnostic and therapeutic agents. Some effects of BCC involve phenomena linked to the action of steroid or thyroid hormones; among these, are the effects on muscle mass or basal metabolism. Additionally, some toxicology reports on mammals, including humans, sound an alert concerning damage to several systems, among which are the negative effects on the induction of male infertility. Systemic and local mechanisms to explain changes in metabolism and impaired fertility were collected and presented. Then, we presented the putative pharmacodynamic and pharmacokinetic mechanisms involved and demonstrated in these events. In addition, it is proposed that there are adducts of some oxygenated BCC with cis-diols in fructose, an essential source of energy for sperm–cell motility, an uncoupling of sex hormone-binding globulin (SHBG) and its ligands, and the modulation of the DNA synthetic rate. These effects share the reactivity of boron-containing compounds on the cis-diols of key molecules. Moreover, data reporting no DNA damage after BCC administration are included. Further studies are required to support the clear role of BCC through these events to disrupt metabolism or fertility in mammals. If such phenomena are confirmed and elucidated, an advance could be useful to design strategies for avoiding BCC toxicity after BCC administration, and possibly for designing metabolism regulators and contraceptive drugs, among other purposes. Boronic derivatives and carboranes have been proposed and studied in this field. Full article
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15 pages, 7531 KiB  
Article
Sol-Gel Synthesized Nickel-Oxide-Based Fabrication of Arsenic (As3+) Sensor
by Ali Alsalme, Huda Alsaeedi, Malak Faisal Altowairqi, Rais Ahmad Khan, Ghadah M. Alharbi and Afnan A. Alhamed
Inorganics 2023, 11(2), 83; https://doi.org/10.3390/inorganics11020083 - 16 Feb 2023
Cited by 1 | Viewed by 1420
Abstract
Heavy metal ions can have a negative impact on human health when they are present in the environment and diet. In order to enhance healthcare globally, simple, dependable, sensitive, rapid, and accurate technologies for their detection must be created. Herein, we report a [...] Read more.
Heavy metal ions can have a negative impact on human health when they are present in the environment and diet. In order to enhance healthcare globally, simple, dependable, sensitive, rapid, and accurate technologies for their detection must be created. Herein, we report a sol-gel preparation of nickel oxide (NiO) nanoparticles. The prepared NiO nanoparticles are extensively characterized by PXRD, SEM, and EDS approaches. The obtained SEM results showed that NiO has a nanosphere-shaped surface morphology. The surface area of a gold electrode (Au) was fabricated with NiO nanoparticles via the drop-casting method. The fabricated electrode with NiO nanoparticles (NiO/Au) was applied as an arsenic sensor. The NiO/Au exhibits decent sensitivity of 3.10 µA/ppb and a limit of detection of 1.94 ppb. The NiO/Au also shows good sensing performance for arsenic detection, which includes good stability, repeatability, and selectivity. So far, this is the first report which adopted two electrochemical techniques (cyclic voltammetry and linear sweep voltammetry) for the detection of arsenic using NiO/Au. Full article
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11 pages, 4287 KiB  
Article
Hot Isostatic Pressing Control of Tungsten-Based Composites
by Ryan Schoell, Aspen Reyes, Guddi Suman, Mila Nhu Lam, Justin Hamil, Samantha G. Rosenberg, LaRico Treadwell, Khalid Hattar and Eric Lang
Inorganics 2023, 11(2), 82; https://doi.org/10.3390/inorganics11020082 - 16 Feb 2023
Viewed by 1621
Abstract
Metal-oxide composites are commonly used in high temperature environments for their thermal stability and high melting points. Commonly employed with refractory oxides or carbides such as ZrC and HfC, these materials may be improved with the use of a low density, high melting [...] Read more.
Metal-oxide composites are commonly used in high temperature environments for their thermal stability and high melting points. Commonly employed with refractory oxides or carbides such as ZrC and HfC, these materials may be improved with the use of a low density, high melting point ceramic such as CeO2. In this work, the consolidation of W-CeO2 metal matrix composites in the high CeO2 concentration regime is explored. The CeO2 concentrations of 50, 33, and 25 wt.%, the CeO2 particle size from nanometer to micrometer, and various hot isostatic pressing temperatures are investigated. Decreasing the CeO2 concentration is observed to increase the composite density and increase the Vickers hardness. The CeO2 oxidation state is observed to be a combination of Ce3+ and Ce4+, which is hypothesized to contribute to the porosity of the composites. The hardness of the metal-oxide composite can be improved more than 2.5 times compared to pure W processed by the same route. This work offers processing guidelines for further consolation of oxide-doped W composites. Full article
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22 pages, 6586 KiB  
Review
Carbon-Based Materials and Their Applications in Sensing by Electrochemical Voltammetry
by Trong Danh Nguyen, My Thi Ngoc Nguyen and Jun Seop Lee
Inorganics 2023, 11(2), 81; https://doi.org/10.3390/inorganics11020081 - 15 Feb 2023
Cited by 12 | Viewed by 2974
Abstract
In recent years, society has paid great attention to health care and environmental safety. Thus, research on advanced sensors for detecting substances that can harm health and the environment has been developed rapidly. Another popular target for detection techniques is disease-expressing materials that [...] Read more.
In recent years, society has paid great attention to health care and environmental safety. Thus, research on advanced sensors for detecting substances that can harm health and the environment has been developed rapidly. Another popular target for detection techniques is disease-expressing materials that can be collected from body fluids. Carbon, which has outstanding electrochemical properties, can come from a variety of sources and has many morphological shapes, is nevertheless an environmentally friendly material. While carbon nanomaterial has become one of the most common targets for high-tech development, electrochemical voltammetry has proven to be an effective measurement method. Herein, the paper proposes a currently developed carbon nanomaterial along with research on a modified carbon material. Moreover, four common voltammetry methods and related works are also introduced. Full article
(This article belongs to the Section Inorganic Materials)
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13 pages, 3762 KiB  
Article
Square Planar Pt(II) Ion as Electron Donor in Pnictogen Bonding Interactions
by Sergi Burguera, Rosa M. Gomila, Antonio Bauzá and Antonio Frontera
Inorganics 2023, 11(2), 80; https://doi.org/10.3390/inorganics11020080 - 15 Feb 2023
Cited by 4 | Viewed by 1679
Abstract
It has been proposed that late transition metals with low coordination numbers (square planar or linear) can act as nucleophiles and participate in σ-hole interactions as electron donors. This is due to the existence, in this type of metal complexes, of a pair [...] Read more.
It has been proposed that late transition metals with low coordination numbers (square planar or linear) can act as nucleophiles and participate in σ-hole interactions as electron donors. This is due to the existence, in this type of metal complexes, of a pair of electrons located at high energy d-orbitals (dz2 or dx2-y2), which are adequate for interacting with antibonding σ-orbitals [σ*(X–Y)] where Y is usually an electron withdrawing element and X an element of the p-block. This type of d[M]→σ*(X–Y) interaction has been reported for metals of groups 9–11 in oxidation states +1 and +2 (d8 and d10) as electron donors and σ-holes located in halogen and chalcogen atoms as electron acceptors. To our knowledge, it has not been described for σ-holes located in pnictogen atoms. In this manuscript, evidence for the existence of pnictogen bonding involving the square planar Pt(II) metal as the electron donor and Sb as the electron acceptor is provided by using an X-ray structure retrieved from the Cambridge Structural Database (CSD) and theoretical calculations. In particular, the quantum theory of atoms in molecules (QTAIM), the noncovalent interaction plot (NCIPlot) and molecular electrostatic potential (MEP) methods were used. Moreover, to further confirm the nature of the Sb···Pt(II) contact, a recently developed method was used where the electron density (ED) and electrostatic potential (ESP) distribution were compared along the Sb···Pt(II) bond path. Full article
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17 pages, 4471 KiB  
Article
Preparing a Ca-Bi-O System by the Precipitation Method and Studying Its Intermediate Structural Properties for Applications in Water Treatment
by Adrian Ionuț Cadiș, Florina Ștefania Rus, João Nuno Gonçalves and Mădălina Ivanovici
Inorganics 2023, 11(2), 79; https://doi.org/10.3390/inorganics11020079 - 9 Feb 2023
Cited by 2 | Viewed by 1188
Abstract
This study focuses on the development of a Ca-Bi-O system (CBO) with efficiency in the degradation of Rhodamine B, which is extremely toxic to many organisms and can have long-term negative consequences if not safely removed from the water. The conventional precipitation method [...] Read more.
This study focuses on the development of a Ca-Bi-O system (CBO) with efficiency in the degradation of Rhodamine B, which is extremely toxic to many organisms and can have long-term negative consequences if not safely removed from the water. The conventional precipitation method was used to create a stable phase of Ca2Bi2O5 with a stoichiometric 1:1 molar ratio of Ca:Bi. Before obtaining the pure phase, the details of the reaction processes were investigated and the various intermediate products were identified using X-ray diffraction followed by Fourier transform infrared, UV-Vis, and Raman spectroscopy. An ab initio calculation evaluated with the HSE06 functional yields a band gap of 3.5 eV, similar to the band gap obtained by diffuse reflectance recorded on Ca2Bi2O5. This newly synthesized compound is addressed to the environmental application by investigating the photocatalytic properties of CBO materials obtained at different calcination temperatures. The investigation of pure Ca2Bi2O5, with characterization techniques and complemented by new first-principles calculations to investigate the photocatalysis provide valuable new insights for this scarcely studied yet potentially interesting compound. Full article
(This article belongs to the Special Issue Inorganics for Catalysts: Design, Synthesis and Applications)
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12 pages, 5909 KiB  
Article
Effect of the Solvent on the Crystallographic and Magnetic Properties of Rhenium(IV) Complexes Based on 2,2′-Bipyrimidine Ligand
by Adrián Sanchis-Perucho, Marta Orts-Arroyo, Nicolas Moliner and José Martínez-Lillo
Inorganics 2023, 11(2), 78; https://doi.org/10.3390/inorganics11020078 - 9 Feb 2023
Viewed by 1428
Abstract
Two solvated rhenium(IV) complexes with formula [ReCl4(bpym)]·MeCN (1) and [ReCl4(bpym)]·CH3COOH·H2O (2) (bpym = 2,2′-bipyrimidine) have been prepared and characterized by means of Fourier transform infrared spectroscopy (FT–IR), scanning electron microscopy and [...] Read more.
Two solvated rhenium(IV) complexes with formula [ReCl4(bpym)]·MeCN (1) and [ReCl4(bpym)]·CH3COOH·H2O (2) (bpym = 2,2′-bipyrimidine) have been prepared and characterized by means of Fourier transform infrared spectroscopy (FT–IR), scanning electron microscopy and energy dispersive X-ray analysis (SEM–EDX), single-crystal X-ray diffraction (XRD) and SQUID magnetometer. 1 and 2 crystallize in the monoclinic system with space groups P21/n and P21/c, respectively. In both compounds, the Re(IV) ion is six-coordinate and bound to four chloride ions and two nitrogen atoms of a 2,2′-bipyrimidine molecule forming a distorted octahedral geometry around the metal ion. In the crystal packing of 1 and 2, intermolecular halogen⋯halogen and π⋯halogen-type interactions are present. Hydrogen bonds take place only in the crystal structure of 2. Both compounds exhibit a similar crystal framework based on halogen bonds. Variable temperature dc magnetic susceptibility measurements performed on microcrystalline samples of 1 and 2 show a similar magnetic behavior for both compounds, with antiferromagnetic exchange between the Re(IV) ions connected mainly through intermolecular Re-Cl⋯Cl-Re interactions. Full article
(This article belongs to the Special Issue Inorganics: 10th Anniversary)
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13 pages, 3599 KiB  
Article
Supramolecular Host–Guest Assemblies of [M6Cl14]2–, M = Mo, W, Clusters with γ-Cyclodextrin for the Development of CLUSPOMs
by Anton A. Ivanov, Pavel A. Abramov, Mohamed Haouas, Yann Molard, Stéphane Cordier, Clément Falaise, Emmanuel Cadot and Michael A. Shestopalov
Inorganics 2023, 11(2), 77; https://doi.org/10.3390/inorganics11020077 - 7 Feb 2023
Cited by 4 | Viewed by 1860
Abstract
Host–guest assemblies open up opportunities for developing novel functional CLUSPOM multicomponent systems based on transition metal clusters (CLUS), polyoxometalates (POMs) and macrocyclic organic ligands. In water–ethanol solution γ-cyclodextrin (γ-CD) interacts with halide metal clusters [M6Cl14]2– (M = Mo, [...] Read more.
Host–guest assemblies open up opportunities for developing novel functional CLUSPOM multicomponent systems based on transition metal clusters (CLUS), polyoxometalates (POMs) and macrocyclic organic ligands. In water–ethanol solution γ-cyclodextrin (γ-CD) interacts with halide metal clusters [M6Cl14]2– (M = Mo, W) to form sandwich-type structures. The supramolecular association between the clusters and CDs, however, remains weak in solution, and the interactions are not strong enough to prevent the hydrolysis of the inorganic guest. Although analysis of the resulting crystal structures reveals inclusion complexation, 1H NMR experiments in solution show no specific affinity between the two components. The luminescent properties of the host–guest compounds in comparison with the initial cluster complexes are also studied to evaluate the influence of CD. Full article
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16 pages, 3085 KiB  
Article
Organic–Inorganic Manganese (II) Halide Hybrid Combining the Two Isomers Cis/Trans of [MnCl4(H2O)2]: Crystal Structure, Physical Properties, Pharmacokinetics and Biological Evaluation
by Mansoura Bourwina, Sandra Walha, Najeh Krayem, Riadh Badraoui, Faten Brahmi, Wejdan M. Alshammari, Mejdi Snoussi, Mark M. Turnbull, Thierry Roisnel and Houcine Naïli
Inorganics 2023, 11(2), 76; https://doi.org/10.3390/inorganics11020076 - 4 Feb 2023
Cited by 2 | Viewed by 1628
Abstract
A manganese (II) complex templated by hexahydro-1,4-diazepinediium as a counter ion was grown by slow evaporation from an aqueous solution at room temperature. The X-ray diffraction analysis revealed that the compound (C5H14N2)[MnCl4(H2O)2 [...] Read more.
A manganese (II) complex templated by hexahydro-1,4-diazepinediium as a counter ion was grown by slow evaporation from an aqueous solution at room temperature. The X-ray diffraction analysis revealed that the compound (C5H14N2)[MnCl4(H2O)2] crystallizes in the centrosymmetric space group P2/c of the monoclinic system. The crystal structure of the Mn(II) complex is characterized by an alternation of 0-dimensional organic and inorganic stacks linked together by N/O-H…Cl and N-H…O hydrogen bonds, which lead to a three-dimensional supramolecular architecture. In this structure, the inorganic layer is built up by independent anionic moieties combining the two isomers cis/trans of [MnCl4(H2O)2]2−. The thermal decomposition was studied by TGA-DTA techniques. The optical band gap and Urbach energy were obtained by Tauc’s equation. The direct and indirect band gap values are found to be 4.58 and 4.44 eV, respectively. Weak antiferromagnetic interactions are present in the molecule under study, according to magnetic measurements. An agar well diffusion technique was used to assess the synthetic compound’s biological activity, and the results showed that it has potent antibacterial (Gram-positive and Gram-negative) properties. Interestingly, the synthesized compound also displayed antilipase activity. These biological activities have been confirmed by the bioavailability and pharmacokinetic analyses. Full article
(This article belongs to the Special Issue Functional Inorganic Materials for Biomedical Application)
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3 pages, 192 KiB  
Editorial
Ferrocene and Its Derivatives: Celebrating the 70th Anniversary of Its Discovery
by Lubov V. Snegur
Inorganics 2023, 11(2), 75; https://doi.org/10.3390/inorganics11020075 - 3 Feb 2023
Cited by 1 | Viewed by 988
Abstract
Ferrocene is already 70 years old! A respectable age, as claimed by the authors of this Special Issue [...] Full article
17 pages, 6123 KiB  
Article
Surface Characterization and Electrical Properties of Low Energy Irradiated PANI/PbS Polymeric Nanocomposite Materials
by Numa A. Althubiti, Nuha Al-Harbi, Rabab K. Sendi, Ali Atta and Ahmed. M. A. Henaish
Inorganics 2023, 11(2), 74; https://doi.org/10.3390/inorganics11020074 - 3 Feb 2023
Cited by 15 | Viewed by 1420
Abstract
In this work, nanocomposite samples of polyaniline (PANI) and lead sulfide nanoparticles (PbSNPs) were prepared, utilizing the solution preparation method, for implantation in energy storage elements. The PANI/PbS films were irradiated by different fluences of oxygen beam: 5 × 1016, 10 [...] Read more.
In this work, nanocomposite samples of polyaniline (PANI) and lead sulfide nanoparticles (PbSNPs) were prepared, utilizing the solution preparation method, for implantation in energy storage elements. The PANI/PbS films were irradiated by different fluences of oxygen beam: 5 × 1016, 10 × 1016, and 15 × 1016 ions.cm−2. The composite was investigated by XRD, SEM, DSC, and FTIR. After ion irradiation, the Tg and Tm values decreased by 4.8 °C and 10.1 °C, respectively. The conductivities, electrical impedances, and electrical moduli of untreated and irradiated samples were examined in frequencies ranging from 102 Hz to 5 MHz. Moreover, the ion beam caused a modification in the dielectric characteristics of PANI/PbS. The dielectric constant ε′ was improved from 31 to 611, and the electrical conductivity increased from 1.45 × 10−3 S/cm to 25.9 × 10−3 S/cm by enhancing the fluence to 15 × 1016 ions.cm−2. Additionally, the potential energy barrier, Wm, decreased from 0.43 eV to 0.23 eV. The induced changes in the dielectric properties and structural characteristics of the PANI/PbS samples were determined. These modifications provide an opportunity to use irradiated PANI/PbS samples for several applications, including microelectronics, batteries, and storage of electrical energy. Full article
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17 pages, 14505 KiB  
Article
Phases and Interfaces in the Cr–Fe–Si Ternary System: X-ray Diffraction and Electron Microscopy Study
by Elena I. Suvorova, Natalya A. Arkharova, Anna G. Ivanova, Fedor Yu. Solomkin and Philippe A. Buffat
Inorganics 2023, 11(2), 73; https://doi.org/10.3390/inorganics11020073 - 3 Feb 2023
Viewed by 1345
Abstract
The ternary Cr-Fe-Si system was investigated with X-ray diffraction, energy dispersive X-ray spectrometry, scanning and transmission electron microscopy, and electron diffraction. Samples melted at 1723 K were examined right after cooling or after annealing at 1073 K for 3 days to determine phases, [...] Read more.
The ternary Cr-Fe-Si system was investigated with X-ray diffraction, energy dispersive X-ray spectrometry, scanning and transmission electron microscopy, and electron diffraction. Samples melted at 1723 K were examined right after cooling or after annealing at 1073 K for 3 days to determine phases, grain sizes, and interphase interfaces. During annealing, a polymorphic transformation of the tetragonal α-FeSi2 to the orthorhombic β-FeSi2 phase occurs, while CrSi2 retains its hexagonal structure at high-temperature treatment. Thin layers of ε-FeSi with a cubic structure were observed and identified within the CrSi2 grains. Crystallographic orientation relationships are determined at the interphase interfaces. The contributions of lattice mismatch and thermal expansion coefficient misfit to deformation are discussed. Full article
(This article belongs to the Special Issue Inorganics: 10th Anniversary)
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63 pages, 38378 KiB  
Review
Charge-Compensated Derivatives of Nido-Carborane
by Marina Yu. Stogniy, Sergey A. Anufriev and Igor B. Sivaev
Inorganics 2023, 11(2), 72; https://doi.org/10.3390/inorganics11020072 - 2 Feb 2023
Cited by 6 | Viewed by 1767
Abstract
This review summarizes data on the main types of charge-compensated nido-carborane derivatives. Compared with organic analogs, onium derivatives of nido-carborane have increased stability due to the stabilizing electron-donor action of the boron cage. Charge-compensated derivatives are considered according to the type of heteroatom [...] Read more.
This review summarizes data on the main types of charge-compensated nido-carborane derivatives. Compared with organic analogs, onium derivatives of nido-carborane have increased stability due to the stabilizing electron-donor action of the boron cage. Charge-compensated derivatives are considered according to the type of heteroatom bonded to a boron atom. Full article
(This article belongs to the Special Issue Fifth Element: The Current State of Boron Chemistry)
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19 pages, 6775 KiB  
Article
Coordination Chemistry of Polynitriles, Part XII—Serendipitous Synthesis of the Octacyanofulvalenediide Dianion and Study of Its Coordination Chemistry with K+ and Ag+
by Patrick Nimax, Yannick Kunzelmann and Karlheinz Sünkel
Inorganics 2023, 11(2), 71; https://doi.org/10.3390/inorganics11020071 - 2 Feb 2023
Cited by 1 | Viewed by 1224
Abstract
The reaction of diazotetracyanocyclopentadiene with copper powder in the presence of NEt4Cl yields, unexpectedly, besides the known NEt4[C5H(CN)4] (3), the NEt4 salt of octacyanofulvalenediide (NEt4)2[C10(CN)8] ( [...] Read more.
The reaction of diazotetracyanocyclopentadiene with copper powder in the presence of NEt4Cl yields, unexpectedly, besides the known NEt4[C5H(CN)4] (3), the NEt4 salt of octacyanofulvalenediide (NEt4)2[C10(CN)8] (5), which can be transformed via reaction with AgNO3 to the corresponding Ag+ salt (4), which in turn can be reacted with KCl to yield the corresponding K+ salt 6. The molecular and crystal structures of 46 could be determined, and show a significantly twisted aromatic dianion which uses all its nitrile groups for coordination to the metals; 4 and 6 form three-dimensional coordination polymers with fourfold coordinated Ag+ and eightfold coordinated K+ cations. Full article
(This article belongs to the Special Issue Recent Progress in Coordination Chemistry)
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11 pages, 1564 KiB  
Article
Synthesis of Novel Multifunctional bora-Ibuprofen Derivatives
by Randika T. Abeysinghe, Alexis C. Ravenscroft, Steven W. Knowlden, Novruz G. Akhmedov, Brian S. Dolinar and Brian V. Popp
Inorganics 2023, 11(2), 70; https://doi.org/10.3390/inorganics11020070 - 2 Feb 2023
Cited by 3 | Viewed by 2748
Abstract
A unique class of β-boron-functionalized non-steroidal anti-inflammatory compound (pinB-NSAID) was previously synthesized via copper-catalyzed 1,2-difunctionalization of the respective vinyl arene with CO2 and B2pin2 reagents. Here, pinacolylboron-functionalized ibuprofen (pinB-ibuprofen) was used as a model substrate to develop the conditions [...] Read more.
A unique class of β-boron-functionalized non-steroidal anti-inflammatory compound (pinB-NSAID) was previously synthesized via copper-catalyzed 1,2-difunctionalization of the respective vinyl arene with CO2 and B2pin2 reagents. Here, pinacolylboron-functionalized ibuprofen (pinB-ibuprofen) was used as a model substrate to develop the conditions for pinacol deprotection and subsequent boron functionalization. Initial pinacol-boronic ester deprotection was achieved by transesterification with diethanolamine (DEA) from the boralactonate organic salt. The resulting DEA boronate adopts a spirocyclic boralactonate structure rather than a diazaborocane–DABO boronate structure. The subsequent acid-mediated hydrolysis of DEA and transesterification/transamination provided a diverse scope of new boron-containing ibuprofen derivatives. Full article
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10 pages, 5486 KiB  
Article
Reversible Conversion between Lithium Superoxide and Lithium Peroxide: A Closed “Lithium–Oxygen” Battery
by Junkai Wang, Rui Gao and Xiangfeng Liu
Inorganics 2023, 11(2), 69; https://doi.org/10.3390/inorganics11020069 - 1 Feb 2023
Cited by 4 | Viewed by 1973
Abstract
Lithium–air batteries have become a desirable research direction in the field of green energy due to their large specific capacity and high energy density. The current research mainly focuses on an open system continuously supplying high-purity oxygen or air. However, factors such as [...] Read more.
Lithium–air batteries have become a desirable research direction in the field of green energy due to their large specific capacity and high energy density. The current research mainly focuses on an open system continuously supplying high-purity oxygen or air. However, factors such as water and CO2 in the open system and liquid electrolytes’ evaporation will decrease battery performance. To improve the practical application of lithium–air batteries, developing a lithium–oxygen battery that does not need a gaseous oxygen supply is desirable. In this study, we designed a closed lithium–oxygen battery model based on the conversion of lithium superoxide and lithium peroxide (LiO2 + e + Li+ ↔ Li2O2). Herein, the Pd-rGO as a catalyst will produce the LiO2 in the pre-discharge process, and the closed battery can cycle over 57 cycles stably. In addition to in situ Raman spectra, electrochemical quartz crystal microbalance (EQCM) and differential electrochemical mass spectrometry (DEMS) have been applied to explanation the conversion between LiO2 and Li2O2 during the charge–discharge process. This work paves the way to introduce a new closed “lithium–oxygen” battery system for developing large-capacity green energy. Full article
(This article belongs to the Special Issue Advances in Metal Air Batteries)
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21 pages, 4535 KiB  
Article
Structural, Spectroscopic, and Thermal Decomposition Features of [Carbonatotetraamminecobalt(III)] Iodide—Insight into the Simultaneous Solid-Phase Quasi-Intramolecular Redox Reactions
by Kende Attila Béres, Fanni Szilágyi, Zoltán Homonnay, Zsolt Dürvanger, Laura Bereczki, László Trif, Vladimir M. Petruševski, Attila Farkas, Niloofar Bayat and László Kótai
Inorganics 2023, 11(2), 68; https://doi.org/10.3390/inorganics11020068 - 1 Feb 2023
Cited by 4 | Viewed by 2434
Abstract
2-O,O′-Carbonatotetraamminecobalt(III)] iodide, or [Co(NH3)4CO3]I, named in this paper as compound 1, was prepared and characterized comprehensively with spectroscopic (IR, Raman and UV) and single-crystal X-ray diffraction methods. Compound 1 was orthorhombic, and isomorphous with the [...] Read more.
2-O,O′-Carbonatotetraamminecobalt(III)] iodide, or [Co(NH3)4CO3]I, named in this paper as compound 1, was prepared and characterized comprehensively with spectroscopic (IR, Raman and UV) and single-crystal X-ray diffraction methods. Compound 1 was orthorhombic, and isomorphous with the analogous bromide. The four ammonia ligands and the carbonate anion were coordinated to the central cobalt cation in a distorted octahedral geometry. The carbonate ion formed a four-membered symmetric planar chelate ring. The complex cations were bound to each other by N-H···O hydrogen bonds and formed zigzag sheets via an extended 2D hydrogen bond network. The complex cations and iodide ions were arranged into ion pairs and each cation bound its iodide pair through three hydrogen bonds. The thermal decomposition started with the oxidation of the iodide ion by CoIII in the solid phase resulting in [Co(NH3)4CO3] and I2. This intermediate CoII-complex in situ decomposed into Co3O4 and C-N bond containing intermediates. In inert atmosphere, CO or C-N bond containing compounds, and also, due to the in situ decomposition of CoCO3 intermediate, Co3O4 was formed. The quasi-intramolecular solid-phase redox reaction of [Co(NH3)4CO3] might have resulted in the formation of C-N bond containing compounds with substoichiometric release of ammonia and CO2 from compound 1. The C-N bond containing intermediates reduced Co3O4 into CoO and Co, whereas in oxygen-containing atmosphere, the end-product was Co3O4, even at 200 °C, and the endothermic ligand loss reaction coincided with the consecutive exothermic oxidation processes. Full article
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14 pages, 8558 KiB  
Article
Deep Eutectic Solvent-Mediated Synthesis of Ni3V2O8/N-Doped RGO for Visible-Light-Driven H2 Evolution and Simultaneous Degradation of Dyes
by Fahad A. Alharthi, Alanood Sulaiman Ababtain, Hend Khalid Aldubeikl, Hamdah S. Alanazi and Imran Hasan
Inorganics 2023, 11(2), 67; https://doi.org/10.3390/inorganics11020067 - 31 Jan 2023
Cited by 5 | Viewed by 1432
Abstract
Photochemical hydrogen evolution and the degradation of synthetic dyes in water are the two key ways to unravel the issues associated with the energy and environmental sectors for sustainability. The present work deals with the use of a deep eutectic solvent for the [...] Read more.
Photochemical hydrogen evolution and the degradation of synthetic dyes in water are the two key ways to unravel the issues associated with the energy and environmental sectors for sustainability. The present work deals with the use of a deep eutectic solvent for the synthesis of Ni3V2O8/N-doped reduced graphene oxide (NiV/NR hybrid). The NiV/NR hybrid, NRGO, and NiV were characterized using XRD, SEM, TEM, UV-DRS, XPS, and other photo-electrochemical techniques. The NiV/NR hybrid exhibited high efficiency towards light-driven hydrogen evolution (12,546 µmol)) compared to pristine NiV (6453 µmol) and NRGO (1935 µmol). Among the various sacrificial agents examined, TEOA showed better activity in H2 evolution. The photocatalytic degradation of anionic (Methyl orange; MO) and cationic dyes (crystal violet; CV) were evaluated and the reaction conditions were carefully optimized to attain the utmost efficiency. The efficiency of the NiV/NR hybrid was higher under visible light irradiation than UV light and able to degrade 94.6 and 96.7% of MO and CV, respectively. The results of the simultaneous degradation of dyes and total organic carbon (TOC) removal were good. Based on the obtained bandgap and Mott–Schottky plots, the mechanism of photocatalysis in the NiV/NR hybrid is discussed in detail. The reusability and stability of the NiV/NR hybrid in both H2 evolution experiments and degradation studies are excellent. The fabricated NiV/NR hybrid material could be used for multiple applications in energy and environmental applications. Full article
(This article belongs to the Special Issue Nanocomposites for Photocatalysis)
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14 pages, 2571 KiB  
Article
Study of the Kinetics of Reduction of IrO2 on TiO2 (Anatase) by Temperature-Programmed Reduction
by Shahad Batubara, Mogbel Alrushaid, Muhammad Amtiaz Nadeem and Hicham Idriss
Inorganics 2023, 11(2), 66; https://doi.org/10.3390/inorganics11020066 - 31 Jan 2023
Viewed by 1767
Abstract
The interaction between IrO2 and TiO2 (anatase) in non-isothermal reduction conditions has been studied by the temperature programmed reduction technique. IrO2 clusters are of sizes between 0.5 and 0.9 nm as determined from High Resolution Transmission Electron Microscopy (HRTEM). Largely, [...] Read more.
The interaction between IrO2 and TiO2 (anatase) in non-isothermal reduction conditions has been studied by the temperature programmed reduction technique. IrO2 clusters are of sizes between 0.5 and 0.9 nm as determined from High Resolution Transmission Electron Microscopy (HRTEM). Largely, two main regions for reduction were found and modeled at ca. 100 and 230 °C. The first region is attributed to the partial reduction of IrO2 clusters, while the second one is due to reduction of the formed crystalline (rutile IrO2), during TPR, to Ir metal. Two methods for calculating kinetic parameters were tested. First, by applying different ramping rates on a 3.5 wt.% IrO2/TiO2 using Kissinger’s method. The apparent activation energy values for the first and second reduction regions were found to be ca. 35 and 100 kJ/mol, respectively. The second method was based on fitting different kinetic models for the experimental results in order to extract qualitative information on the nature of interaction during the reduction process. It was found that the first reduction is largely due to the amount of IrO2 (reactant concentration) while the second one involved phase boundary effect as well as nucleation. Full article
(This article belongs to the Special Issue Recent Advancements of Metal Oxide in Catalysis)
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30 pages, 4112 KiB  
Review
MOFs for Electrochemical Energy Conversion and Storage
by Claudio Pettinari and Alessia Tombesi
Inorganics 2023, 11(2), 65; https://doi.org/10.3390/inorganics11020065 - 30 Jan 2023
Cited by 10 | Viewed by 4607
Abstract
Metal organic frameworks (MOFs) are a family of crystalline porous materials which attracts much attention for their possible application in energy electrochemical conversion and storage devices due to their ordered structures characterized by large surface areas and the presence in selected cases of [...] Read more.
Metal organic frameworks (MOFs) are a family of crystalline porous materials which attracts much attention for their possible application in energy electrochemical conversion and storage devices due to their ordered structures characterized by large surface areas and the presence in selected cases of a redox-active porous skeleton. Their synthetic versatility and relevant host-guest chemistry make them suitable platform for use in stable and flexible conductive materials. In this review we summarize the most recent results obtained in this field, by analyzing the use of MOFs in fuel and solar cells with special emphasis on PEMFCs and PSCs, their application in supercapacitors and the employment in batteries by differentiating Li-, Na- and other metal ion-batteries. Finally, an overview of the water splitting reaction MOF-catalyzed is also reported. Full article
(This article belongs to the Special Issue Inorganics: 10th Anniversary)
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18 pages, 3303 KiB  
Article
Interactions of an Artificial Zinc Finger Protein with Cd(II) and Hg(II): Competition and Metal and DNA Binding
by Bálint Hajdu, Éva Hunyadi-Gulyás and Béla Gyurcsik
Inorganics 2023, 11(2), 64; https://doi.org/10.3390/inorganics11020064 - 29 Jan 2023
Cited by 2 | Viewed by 1999
Abstract
Cys2His2 zinc finger proteins are important for living organisms, as they—among other functions—specifically recognise DNA when Zn(II) is coordinated to the proteins, stabilising their ββα secondary structure. Therefore, competition with other metal ions may alter their original function. Toxic metal ions such as [...] Read more.
Cys2His2 zinc finger proteins are important for living organisms, as they—among other functions—specifically recognise DNA when Zn(II) is coordinated to the proteins, stabilising their ββα secondary structure. Therefore, competition with other metal ions may alter their original function. Toxic metal ions such as Cd(II) or Hg(II) might be especially dangerous because of their similar chemical properties to Zn(II). Most competition studies carried out so far have involved small zinc finger peptides. Therefore, we have investigated the interactions of toxic metal ions with a zinc finger proteins consisting of three finger units and the consequences on the DNA binding properties of the protein. Binding of one Cd(II) per finger subunit of the protein was shown by circular dichroism spectroscopy, fluorimetry and electrospray ionisation mass spectrometry. Cd(II) stabilised a similar secondary structure to that of the Zn(II)-bound protein but with a slightly lower affinity. In contrast, Hg(II) could displace Zn(II) quantitatively (logβ′ ≥ 16.7), demolishing the secondary structure, and further Hg(II) binding was also observed. Based on electrophoretic gel mobility shift assays, the Cd(II)-bound zinc finger protein could recognise the specific DNA target sequence similarly to the Zn(II)-loaded form but with a ~0.6 log units lower stability constant, while Hg(II) could destroy DNA binding completely. Full article
(This article belongs to the Special Issue Recent Progress in Coordination Chemistry)
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19 pages, 3479 KiB  
Article
New Dual Inhibitors of SARS-CoV-2 Based on Metal Complexes with Schiff-Base 4-Chloro-3-Methyl Phenyl Hydrazine: Synthesis, DFT, Antibacterial Properties and Molecular Docking Studies
by Ahmed S. M. Al-Janabi, Amin O. Elzupir, Mortaga M. Abou-Krisha and Tarek A. Yousef
Inorganics 2023, 11(2), 63; https://doi.org/10.3390/inorganics11020063 - 29 Jan 2023
Cited by 10 | Viewed by 1703
Abstract
This paper explores a dual inhibition of main protease (Mpro) and nonstructural protein 10/nonstructural protein 16 (NSP16) methyltransferase complex as the key targets for COVID-19 therapy. These are based on the new Schiff-base ligand that was obtained from the condensation of (4-chloro-3-methyl phenyl) [...] Read more.
This paper explores a dual inhibition of main protease (Mpro) and nonstructural protein 10/nonstructural protein 16 (NSP16) methyltransferase complex as the key targets for COVID-19 therapy. These are based on the new Schiff-base ligand that was obtained from the condensation of (4-chloro-3-methyl phenyl) hydrazine with 2-pyridine-carboxaldehyde and its novel Schiff-base metal complexes. These include Ni(II), Pd(II), Pt(II), Zn(II), and Hg(II). The newly synthesized compounds have been characterized using FT-IR, 1H NMR, 13C NMR, and elemental analysis. The results suggested that the Schiff-base ligand is coordinated as a bidentate ligand through the nitrogen atoms of the azomethine group and pyridyl ring. In addition, the biological activity of the prepared complexes was examined against Pseudomonas aeruginosa and Staphylococcus aureus, and the results showed that the Zn(II) complex has the highest activity compared with other compounds. The active sites were found by looking at the molecular electrostatic potential (MEP) maps of the above ligands and complexes. The activity of the compound and its Ni(II) and Zn(II) complexes against Mpro and NSP10/ NSP16 was investigated using a molecular docking approach. They showed excellent binding energies ranging from −5.9 to −7.2 kcal/mol and −5.8 to −7.2 for Mpro and NSP16, respectively. All conformers of the metal complexes were docked with the active site of the NSP16 receptor, showing a binding affinity of 100%. According to our knowledge, this was the first report of these metal complexes as dual inhibitors for Mpro and NSP16 of SARS-CoV-2. Full article
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15 pages, 1378 KiB  
Article
Peroxidative Oxidation of Cyclohexane Using 3d Metal Complexes with Hydrazone-Derived Ligands as Catalysts: Exploring (Un)Conventional Conditions
by Nuno Reis Conceição, Beatriz P. Nobre, Atash V. Gurbanov, António M. F. Palavra, M. Fátima C. Guedes da Silva, Kamran T. Mahmudov and Armando J. L. Pombeiro
Inorganics 2023, 11(2), 62; https://doi.org/10.3390/inorganics11020062 - 28 Jan 2023
Cited by 3 | Viewed by 1587
Abstract
Two tetranuclear and two mononuclear Cu(II) complexes with arylhydrazones of malononitrile derived ligands (compounds 12 and 34, respectively), one trinuclear Co(II/III) complex with an arylhydrazone of acetoacetanilide (5) and one tetranuclear Zn(II) complex of 3-(2-carboxyphenyl-hydrazone)pentane-2,4-dione ( [...] Read more.
Two tetranuclear and two mononuclear Cu(II) complexes with arylhydrazones of malononitrile derived ligands (compounds 12 and 34, respectively), one trinuclear Co(II/III) complex with an arylhydrazone of acetoacetanilide (5) and one tetranuclear Zn(II) complex of 3-(2-carboxyphenyl-hydrazone)pentane-2,4-dione (6) were screened as potential catalysts in the peroxidative oxidation of cyclohexane by aqueous H2O2 in acetonitrile. The best results were attained in the presence of pyrazine-2-carboxylic acid (PCA) with 1 (26% yield, TON = 52.0) and with 2 (24%, TON = 48.0) after 4 h at 40 °C. In the presence of complexes 5 and 6, no oxygenated products were detected in the studied conditions. The employment of non-conventional conditions like supercritical carbon dioxide (scCO2) as reaction medium or microwave (MW) irradiation was assessed for complexes 1 and 2. After 6 h in acetonitrile–scCO2, at 50 °C and with HNO3 as promoter, only 17% yield was achieved using 1 as catalyst, and 21% using 2. Total yields of oxygenates up to 14 (with 1) and 13% (2) and TOFs of 56.0 and 52.0 h−1, respectively, were obtained working under MW irradiation at 70 °C and for the much shorter time of 0.5 h. Full article
(This article belongs to the Special Issue Inorganics: 10th Anniversary)
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14 pages, 4500 KiB  
Article
Exploring the Interdependence between Electronically Unfavorable Situations and Pressure in a Chalcogenide Superconductor
by Kai S. Fries and Simon Steinberg
Inorganics 2023, 11(2), 61; https://doi.org/10.3390/inorganics11020061 - 27 Jan 2023
Viewed by 1395
Abstract
The development of solids with the requested chemical and physical properties requires a thorough understanding of their electronic structures, as proper knowledge of the electronic structure of a given solid provides invaluable information regarding its properties. In this context, recent research on two [...] Read more.
The development of solids with the requested chemical and physical properties requires a thorough understanding of their electronic structures, as proper knowledge of the electronic structure of a given solid provides invaluable information regarding its properties. In this context, recent research on two competing sorts of electronic instabilities in chalcogenide superconductors stimulated us to explore the interdependence between these instabilities and another aspect, pressure, which was previously shown to influence the presence of a superconducting state in diverse solids. To accomplish our goal, we carried out pressure-dependent examinations of the electronic structures of two tellurides, YTe and YTe0.97, which were inspected as prototypes in our explorations based on quantum-chemical means. In addition to our pressure-dependent explorations of the electronic structures, we also performed chemical bonding analyses to reveal the subtle interplay between pressure and two sorts of electronically unfavorable situations. Full article
(This article belongs to the Topic Theoretical, Quantum and Computational Chemistry)
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24 pages, 6449 KiB  
Article
Low-Dimensional Compounds Containing Bioactive Ligands. Part XX: Crystal Structures, Cytotoxic, Antimicrobial Activities and DNA/BSA Binding of Oligonuclear Zinc Complexes with Halogen Derivatives of 8-Hydroxyquinoline
by Michaela Harmošová, Martin Kello, Michal Goga, Ľudmila Tkáčiková, Mária Vilková, Danica Sabolová, Simona Sovová, Erika Samoľová, Miroslava Litecká, Veronika Kuchárová, Juraj Kuchár and Ivan Potočňák
Inorganics 2023, 11(2), 60; https://doi.org/10.3390/inorganics11020060 - 26 Jan 2023
Cited by 4 | Viewed by 1429
Abstract
Two tetranuclear [Zn4Cl2(ClQ)6]·2DMF (1) and [Zn4Cl2(ClQ)6(H2O)2]·4DMF (2), as well as three dinuclear [Zn2(ClQ)3(HClQ)3]I3 (3), [...] Read more.
Two tetranuclear [Zn4Cl2(ClQ)6]·2DMF (1) and [Zn4Cl2(ClQ)6(H2O)2]·4DMF (2), as well as three dinuclear [Zn2(ClQ)3(HClQ)3]I3 (3), [Zn2(dClQ)2(H2O)6(SO4)] (4) and [Zn2(dBrQ)2(H2O)6(SO4)] (5), complexes (HClQ = 5-chloro-8-hydroxyquinoline, HdClQ = 5,7-dichloro-8-hydroxyquinoline and HdBrQ = 5,7-dibromo-8-hydroxyquinoline) were prepared as possible anticancer or antimicrobial agents and characterized by IR spectroscopy, elemental analysis and single crystal X-ray structure analysis. The stability of the complexes in solution was verified by NMR spectroscopy. Antiproliferative activity and selectivity of the prepared complexes were studied using in vitro MTT assay against the HeLa, A549, MCF-7, MDA-MB-231, HCT116 and Caco-2 cancer cell lines and on the Cos-7 non-cancerous cell line. The most sensitive to the tested complexes was Caco-2 cell line. Among the tested complexes, complex 3 showed the highest cytotoxicity against all cell lines. Unfortunately, all complexes showed only poor selectivity to normal cells, except for complex 5, which showed a certain level of selectivity. Antibacterial potential was observed for complex 5 only. Moreover, the DNA/BSA binding potential of complexes 13 was investigated by UV-vis and fluorescence spectroscopic methods. Full article
(This article belongs to the Special Issue Recent Progress in Coordination Chemistry)
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