Journal Description
Inorganics
Inorganics
is an international, scientific, peer-reviewed, open access journal of inorganic chemistry published monthly online by MDPI.
- Open Access— free for readers, with article processing charges (APC) paid by authors or their institutions.
- High Visibility: indexed within Scopus, SCIE (Web of Science), CAPlus / SciFinder, and other databases.
- Journal Rank: JCR - Q2 (Chemistry, Inorganic & Nuclear) / CiteScore - Q2 (Inorganic Chemistry)
- Rapid Publication: manuscripts are peer-reviewed and a first decision is provided to authors approximately 13.6 days after submission; acceptance to publication is undertaken in 3.7 days (median values for papers published in this journal in the second half of 2022).
- Recognition of Reviewers: reviewers who provide timely, thorough peer-review reports receive vouchers entitling them to a discount on the APC of their next publication in any MDPI journal, in appreciation of the work done.
- Testimonials: See what our authors say about Inorganics.
Impact Factor:
3.149 (2021);
5-Year Impact Factor:
2.641 (2021)
Latest Articles
On the Importance of Fresh Stock Solutions for Surfactant-Free Colloidal Syntheses of Gold Nanoparticles in Alkaline Alcohol and Water Mixtures
Inorganics 2023, 11(4), 140; https://doi.org/10.3390/inorganics11040140 (registering DOI) - 25 Mar 2023
Abstract
A room temperature surfactant-free synthesis of gold nanoparticles in the size range 10–20 nm that only requires HAuCl4 as the precursor, NaOH as the base, water as the solvent and a mono-alcohol such as methanol or ethanol as the reducing agent, has
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A room temperature surfactant-free synthesis of gold nanoparticles in the size range 10–20 nm that only requires HAuCl4 as the precursor, NaOH as the base, water as the solvent and a mono-alcohol such as methanol or ethanol as the reducing agent, has recently been detailed. This approach is promisingly simple to obtain colloids stable for months. Here, it is shown that the use of fresh stock solutions of base is one key to ensure the formation of stable surfactant-free small-sized gold nanoparticles. The need for relatively freshly prepared stock solutions of base does not appear to be as crucial for syntheses using stabilizers and/or viscous solvents such as glycerol. The possibly overlooked importance of the age of the stock solution of base might account for the limited interest to date for the simple room temperature synthesis in low viscosity mono-alcohols highlighted.
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(This article belongs to the Section Organometallic Chemistry)
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In Vitro Biological Activity of α-Diimine Rhenium Dicarbonyl Complexes and Their Reactivity with Different Functional Groups
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, , , , , and
Inorganics 2023, 11(4), 139; https://doi.org/10.3390/inorganics11040139 - 24 Mar 2023
Abstract
Cancer remains one of the leading causes of death worldwide. The interest in organometallic complexes as anticancer drug candidates continues to be pivotal for many researchers. Initially underestimated for their therapeutic potentials, rhenium complexes are now slowly gaining momentum. While tricarbonyl complexes of
[...] Read more.
Cancer remains one of the leading causes of death worldwide. The interest in organometallic complexes as anticancer drug candidates continues to be pivotal for many researchers. Initially underestimated for their therapeutic potentials, rhenium complexes are now slowly gaining momentum. While tricarbonyl complexes of rhenium are widely investigated, dicarbonyl derivatives of the cis-[Re(CO)2]+ core remain largely unexplored. In this study, we tested in vitro a variety of rhenium dicarbonyl complexes for their activity towards three cancer cell lines (A549, MCF-7 and HCT116) and one healthy cell line (HEK293). The most lipophilic compounds showed, like the tricarbonyl species, good activity against specific cancer lines (IC50 = 1.5–2.5 µM); however, the same were also toxic towards healthy cells. In order to understand these differences, we performed a reactivity study of cis-[Re(CO)2(NN)]+ species (where NN = diimine) with biologically relevant functional groups (-COOH, -NH2, -SH and aromatic nitrogen-based ligands) and compared the chemistry to what is known for the fac-[Re(CO)3]+ core. Overall, we found that the rhenium dicarbonyl complexes only show good reactivity with aromatic nitrogen-based ligands. The reaction of cis-[Re(CO)2(NN)]+ species with common bio-functional groups leads, rather, to the formation of bis-diimine dicarbonyl complexes (cis-[Re(CO)2(NN)2]+) as the major by-product.
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(This article belongs to the Section Coordination Chemistry)
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Comparative Spectroscopic and Electrochemical Study of V(V)-Substituted Keggin-Type Phosphomolybdates and -Tungstates
Inorganics 2023, 11(4), 138; https://doi.org/10.3390/inorganics11040138 - 23 Mar 2023
Abstract
Vanadium-substituted Keggin-type heteropolyanions have been studied for a wide variety of applications, ranging from catalysis to antiviral/antimicrobial agents. While the V-substituted phosphomolybdates [PVxMo12−xO40](3+x)− have been well investigated in this context, comparatively little is known about
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Vanadium-substituted Keggin-type heteropolyanions have been studied for a wide variety of applications, ranging from catalysis to antiviral/antimicrobial agents. While the V-substituted phosphomolybdates [PVxMo12−xO40](3+x)− have been well investigated in this context, comparatively little is known about the corresponding phosphotungstates [PVxW12-xO40](3+x)−. We have succeeded in synthesizing the sodium salts of the whole series [PVxW12−xO40](3+x)−, for x = 1 to 6, and characterised them spectroscopically (FT-IR, UV-Vis, 31P-, and 51V-NMR) and electrochemically (CV and SWV). Thereby, direct comparisons between the vanadium-substituted phosphomolybdates and -tungstates, with substitution degrees from 1 to 6, can be established, which provides a solid basis for further investigations of potential applications.
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(This article belongs to the Section Coordination Chemistry)
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Dibromo–Isonitrile and N-acyclic Carbene Complexes of Platinum(II): Synthesis and Reactivity
Inorganics 2023, 11(4), 137; https://doi.org/10.3390/inorganics11040137 - 23 Mar 2023
Abstract
A series of dibromo-N-acyclic (NAC) carbene complexes of platinum(II) were synthesized, starting from trans-[Pt(μ-Br)Br(PPh3)]2 and according to a protocol previously optimized for the preparation of analogous chlorinated compounds. In the first step of the synthesis, the ring opening of
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A series of dibromo-N-acyclic (NAC) carbene complexes of platinum(II) were synthesized, starting from trans-[Pt(μ-Br)Br(PPh3)]2 and according to a protocol previously optimized for the preparation of analogous chlorinated compounds. In the first step of the synthesis, the ring opening of the dinuclear precursor was carried out using suitable isonitrile ligands, while the following step consisted of the addition of N,N-diethylamine to the products obtained in the first step. The two reactions were separately investigated, and attention was given to the differences between brominated and chlorinated systems.
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(This article belongs to the Special Issue Phosphorus Ligands for the Stabilization of Unusual and Elusive Structures in Transition Metal Complexes)
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Simultaneous Quantification of Fullerenes C60 and C70 in Organic Solvents by Excitation–Emission Matrix Fluorescence Spectroscopy
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, , , , and
Inorganics 2023, 11(4), 136; https://doi.org/10.3390/inorganics11040136 - 23 Mar 2023
Abstract
Excitation–emission matrix (EEM) fluorescence spectroscopy of unmodified (pristine) fullerenes C60 and C70 in benzene, toluene, and n-hexane at room temperature was used for their quantification by their solvent-dependent EEM bands specific to each fullerene. The intensity and parameters of fluorescence
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Excitation–emission matrix (EEM) fluorescence spectroscopy of unmodified (pristine) fullerenes C60 and C70 in benzene, toluene, and n-hexane at room temperature was used for their quantification by their solvent-dependent EEM bands specific to each fullerene. The intensity and parameters of fluorescence depend on both the fullerene and solvent and provide the conditions for the quantification of both fullerenes in their mixtures without separation. The detection limits for C60 in n-hexane and C70 in benzene under the selected conditions are 7 and 2 nmol/L, respectively. The approach was tested for model and real mixtures of fullerenes C60 and C70.
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(This article belongs to the Special Issue Advances in Fullerene Science)
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A New 1D Ni (II) Coordination Polymer of s-Triazine Type Ligand and Thiocyanate as Linker via Unexpected Hydrolysis of 2,4-Bis(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-1,3,5-triazine
Inorganics 2023, 11(3), 135; https://doi.org/10.3390/inorganics11030135 - 22 Mar 2023
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A new 1D Ni(II) coordination polymer was synthesized by the reaction of NiSO4·6H2O with 2,4-bis(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-1,3,5-triazine (BPT) and SCN− as a linker in an acidic medium by heating under reflux conditions. Unusually, the BPT ligand
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A new 1D Ni(II) coordination polymer was synthesized by the reaction of NiSO4·6H2O with 2,4-bis(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-1,3,5-triazine (BPT) and SCN− as a linker in an acidic medium by heating under reflux conditions. Unusually, the BPT ligand underwent acid-mediated hydrolysis by losing one of the pyrazolyl arms afforded the polymeric [Ni(MPT)(H2O)(SCN)2]n complex (MPT: 4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-1,3,5-triazin-2-ol. The Ni(II) center is coordinated with one MPT as a bidentate NN-chelate, one water molecule, and two thiocyanate groups in cis positions to one another. One of the thiocyanate groups acts as a bridging ligand between metal centers, leading to a one-dimensional polymeric structure that extends along the c-direction. The other thiocyanate group is terminally N-coordinated. The [Ni(MPT)(H2O)(SCN)2]n complex has been screened in vitro against two pathogenic fungal strains: A. fumigatus, C. albican, and four pathogenic bacterial strains: S. aureus, B. subtilis as gram-positive bacteria, E. coli, P. vulgaris as gram-negative bacteria. The results showed that the complex has the potential to be used as both an antibacterial and an antifungal agent. Also, the [Ni(MPT)(H2O)(SCN)2]n complex showed cytotoxic activities against hepatocellular (HepG-2) and lung (A-549) cell lines, with IC50 values of 132.67 ± 5.14 and 146.97 ± 7.34 μM, respectively.
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Multiferroics Made via Chemical Co-Precipitation That Is Synthesized and Characterized as Bi(1−x)CdxFeO3
Inorganics 2023, 11(3), 134; https://doi.org/10.3390/inorganics11030134 - 21 Mar 2023
Abstract
Cd-doped BiFeO3 powders, with varying doping concentrations of Cd (Bi(1−x)CdxFeO3, where x = 0–0.3), were prepared through a facile chemical co-precipitation method and calcinated at 550 °C in the air. The BiFeO3 has a rhombohedral
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Cd-doped BiFeO3 powders, with varying doping concentrations of Cd (Bi(1−x)CdxFeO3, where x = 0–0.3), were prepared through a facile chemical co-precipitation method and calcinated at 550 °C in the air. The BiFeO3 has a rhombohedral crystal structure, which changes to an orthorhombic crystal structure with an increase in Cd doping. The presence of dopant has also altered the bandgap of material suppressing it from 2.95 eV to 2.51 eV, improving the visible light absorption. Vibrating sample magnetometry (VSM) confirmed stronger ferromagnetic character for Bi0.7Cd0.3FeO3 with a coercivity of 250 Oe, and remnant magnetization was 0.15 emu/g, which is because of the misalignment of the two sublattices of perovskite structure after doping resulting in the imbalanced magnetic moment giving rise to net nonzero magnetic behavior. The particle size reduction is observed with an increase in the doping concentration of Cd.
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(This article belongs to the Special Issue First-Row Transition Metal-Based Catalysts for Water Oxidation)
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Photocatalytic Reduction of Cr(VI) to Cr(III) and Photocatalytic Degradation of Methylene Blue and Antifungal Activity of Ag/TiO2 Composites Synthesized via the Template Induced Route
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, , , , , , , , , , , and
Inorganics 2023, 11(3), 133; https://doi.org/10.3390/inorganics11030133 - 21 Mar 2023
Abstract
Water treatment through photocatalysts has become an important topic regarding environmental protection. In the present study, silver and TiO2 (Ag/TiO2) composites for photocatalysts were effectively synthesized by adopting the template induced method. The prepared samples were characterized using XRD, FTIR
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Water treatment through photocatalysts has become an important topic regarding environmental protection. In the present study, silver and TiO2 (Ag/TiO2) composites for photocatalysts were effectively synthesized by adopting the template induced method. The prepared samples were characterized using XRD, FTIR spectroscopy, SEM, and EDX. The constructed samples’ particle size and shape were evaluated using a SEM, and the XRD patterns showed anatase crystalline phases. Their morphologies were controllable with changing concentration of reactants and calcination temperature. The synthesized composites act as catalyst in the degradation of methylene blue (MB) and reduction of Cr(VI) to Cr(III) under solar irradiation. In both of these activities, the best result has been shown by the 0.01 Ag/TiO2 composite. Methanol is used as the hole scavenger in the reduction of Cr(VI) to Cr(III). While the pH factor is important in the photocatalytic reduction of Cr(VI) to Cr(III). According to observations, S. macrospora and S. maydis were each subject to 0.01 Ag/TiO2 nanocomposites maximum antifungal activity, which was 38.4 mm and 34.3 mm, respectively. The outcomes demonstrate that both photocatalytic and antifungal properties are effectively displayed by the constructed material.
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(This article belongs to the Special Issue Nanocomposites for Photocatalysis)
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A Tridentate Cu(II) Complex with a 2-(4′-Aminophenyl)Benzothiazole Derivative: Crystal Structure and Biological Evaluation for Anticancer Activity
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, , , , , , , and
Inorganics 2023, 11(3), 132; https://doi.org/10.3390/inorganics11030132 - 20 Mar 2023
Abstract
Herein, the synthesis, structural characterization and in vitro biological evaluation of a novel Cu(II) complex with the 2-(4-aminophenyl)benzothiazole pharmacophore conjugated with the (2-pyridinyl)methylamino chelating moiety is reported for the first time. A full characterization of the Cu(II) complex was conducted by X-ray crystallography,
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Herein, the synthesis, structural characterization and in vitro biological evaluation of a novel Cu(II) complex with the 2-(4-aminophenyl)benzothiazole pharmacophore conjugated with the (2-pyridinyl)methylamino chelating moiety is reported for the first time. A full characterization of the Cu(II) complex was conducted by X-ray crystallography, EPR, IR, elemental and MS analysis, and its binding to CT-DNA was investigated by UV-vis spectroscopy, ethidium bromide competition studies, circular dichroism, viscometry and thermal denaturation. The data clearly indicate that the Cu(II) complex interacts with CT-DNA via intercalation, registering a difference compared to previously reported Pt(II) and Pd(II) analogues. To evaluate the anticancer activity of the complex, a series of in vitro experiments against breast, glioblastoma, prostate and lung cancer cell lines along with healthy fibroblasts were implemented. Cytotoxicity, cellular uptake, intracellular ROS production, cell cycle and apoptosis analysis revealed an increased anticancer activity towards breast cancer cells that is accompanied by an induction in intracellular ROS levels and a significant G2/M arrest followed by apoptosis.
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(This article belongs to the Special Issue Bioactivity of Transition Metal-Based Complexes)
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Effectiveness of Artificially Synthesized Granitic Residual Soil-Supported Nano Zero-Valent Iron (Gr-nZVI) as Effective Heavy Metal Contaminant Adsorbent
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, , , , and
Inorganics 2023, 11(3), 131; https://doi.org/10.3390/inorganics11030131 - 20 Mar 2023
Abstract
Supported nano zero-valent iron is receiving great attention nowadays due to its effectiveness in treating heavy metal pollutants. Therefore, this study aimed to investigate the effectiveness of granitic residual soil-supported nano zero-valent iron (Gr-nZVI) for the removal of the heavy metals Pb2+
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Supported nano zero-valent iron is receiving great attention nowadays due to its effectiveness in treating heavy metal pollutants. Therefore, this study aimed to investigate the effectiveness of granitic residual soil-supported nano zero-valent iron (Gr-nZVI) for the removal of the heavy metals Pb2+, Cu2+, Co2+, Cd2+ Ni2+ and Zn2+ in mixture solutions under different experimental conditions of batch equilibrium tests. In this study, Gr-nZVI was successfully synthesized by using the chemical reduction of Ferric Chloride Hexahydrate (FeCl3.6H2O) and Sodium Borohydride (NaBH4). The physical and chemical properties, morphology and mineralogy of all adsorbents were characterized by the Braeuer–Emmett–Teller (BET) method, cation exchange capacity (CEC), X-ray fluorescence (XRF), scanning electron microscopy (SEM), field-emission scanning electron microscopy (FESEM), X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR). Isotherm, kinetic and diffusion model analyses were conducted to fit the experimental data. The results show rapid adsorption within 5 min in the initial adsorption stage for Pb2+ on nZVI (qe.Pb = 17.89 mg/g) and Gr-nZVI (qe.Pb = 15.29 mg/g). nZVI and Gr-nZVI also showed no significant effects on pH and temperature, serving as a good example of an energy-efficient process. The isotherm data fitted better to the Langmuir model and the pseudo-second-order kinetic model for the adsorption of all of the heavy metals. The diffusion models revealed that adsorption was not the only rate-limiting step. In this study, nZVI compared to Gr-nZVI and Gr demonstrated superior adsorption capacity for the heavy metal adsorption selectivity. Hence, these materials can be utilized as alternative energy-efficient adsorbents for the adsorption of metal ions from wastewater.
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(This article belongs to the Section Inorganic Materials)
Open AccessEditorial
New Advances into Nanostructured Oxides
Inorganics 2023, 11(3), 130; https://doi.org/10.3390/inorganics11030130 - 20 Mar 2023
Abstract
Inorganic nanostructured (metal) oxides are a large class of inorganic materials extensively investigated for their unique and outstanding properties that allow for their use within a multitude of technological fields of emerging interest, such as (photo)catalysis, environmental remediation processes, energy storage, controlled transport
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Inorganic nanostructured (metal) oxides are a large class of inorganic materials extensively investigated for their unique and outstanding properties that allow for their use within a multitude of technological fields of emerging interest, such as (photo)catalysis, environmental remediation processes, energy storage, controlled transport and/or release of drugs and chemicals, biomedicine, sensing, development of smart materials, stimuli-responsive materials, and nanocomposites [...]
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(This article belongs to the Special Issue New Advances into Nanostructured Oxides)
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The Electronic Nature of Cationic Group 10 Ylidyne Complexes
Inorganics 2023, 11(3), 129; https://doi.org/10.3390/inorganics11030129 - 18 Mar 2023
Abstract
We report a broad theoretical study on [(PMe3)3MER]+ complexes, with M = Ni, Pd, Pt, E = C, Si, Ge, Sn, Pb, and R = ArMes, Tbb, (ArMes = 2,6-dimesitylphenyl; Tbb = C6H
[...] Read more.
We report a broad theoretical study on [(PMe3)3MER]+ complexes, with M = Ni, Pd, Pt, E = C, Si, Ge, Sn, Pb, and R = ArMes, Tbb, (ArMes = 2,6-dimesitylphenyl; Tbb = C6H2-2,6-[CH(SiMe3)2]2-4-tBu). A few years ago, our group succeeded in obtaining heavier homologues of cationic group 10 carbyne complexes via halide abstraction of the tetrylidene complexes [(PMe3)3M=E(X)R] (X = Cl, Br) using a halide scavenger. The electronic structure and the M-E bonds of the [(PMe3)3MER]+ complexes were analyzed utilizing quantum-chemical tools, such as the Pipek–Mezey orbital localization method, the energy decomposition analysis (EDA), and the extended-transition state method with natural orbitals of chemical valence (ETS-NOCV). The carbyne, silylidyne complexes, and the germylidyne complex [(PMe3)3NiGeArMes]+ are suggested to be tetrylidyne complexes featuring donor–acceptor metal tetrel triple bonds, which are composed of two strong π(M→E) and one weaker σ(E→M) interaction. In comparison, the complexes with M = Pd, Pt; E = Sn, Pb; and R = ArMes are best described as metallotetrylenes and exhibit considerable M−E−C bending, a strong σ(M→E) bond, weakened M−E π-components, and lone pair density at the tetrel atoms. Furthermore, bond cleavage energy (BCE) and bond dissociation energy (BDE) reveal preferred splitting into [M(PMe3)3]+ and [ER] fragments for most complex cations in the range of 293.3–618.3 kJ·mol−1 and 230.4–461.6 kJ·mol−1, respectively. Finally, an extensive study of the potential energy hypersurface varying the M−E−C angle indicates the presence of isomers with M−E−C bond angles of around 95°. Interestingly, these isomers are energetically favored for M = Pd, Pt; E = Sn, Pb; and R = ArMes over the less-bent structures by 13–29 kJ·mol−1.
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(This article belongs to the Special Issue Density Functional Theory (DFT) and Semi-empirical Quantum Mechanical (SQM) Methods in Organometallic Chemistry)
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Destabilization of the LiBH4–NaBH4 Eutectic Mixture through Pore Confinement for Hydrogen Storage
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, , , and
Inorganics 2023, 11(3), 128; https://doi.org/10.3390/inorganics11030128 - 18 Mar 2023
Abstract
Both LiBH4 and NaBH4 are well known for having high hydrogen contents, but also high decomposition temperatures and slow hydrogen absorption–desorption kinetics, preventing their use for hydrogen storage applications. The low melting temperature (219 °C) of their eutectic mixture 0.71 LiBH
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Both LiBH4 and NaBH4 are well known for having high hydrogen contents, but also high decomposition temperatures and slow hydrogen absorption–desorption kinetics, preventing their use for hydrogen storage applications. The low melting temperature (219 °C) of their eutectic mixture 0.71 LiBH4–0.29 NaBH4 allowed the synthesis of a new composite material through the melt infiltration of the hydrides into the ~5 nm diameter pores of a CMK-3 type carbon. A composite of 0.71 LiBH4–0.29 NaBH4 and non-porous graphitic carbon discs was also prepared by similar methods for comparison. Both composites showed improved kinetics and a partial reversibility of the dehydrogenation/rehydrogenation reactions. However, the best results were observed for the CMK-3 nanoconfined hydrides; a consistent uptake of about 3.5 wt.% H2 was recorded after five hydrogenation/dehydrogenation cycles for an otherwise non-reversible system. The improved hydrogen release kinetics are attributed to carbon–hydride surface interactions rather than nanoconfinement, while enhanced heat transfer due to the carbon support may also play a role. Likewise, the carbon–hydride contact proved beneficial in terms of reversibility, without, however, ruling out the potential positive effect of pore confinement.
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(This article belongs to the Special Issue State-of-the-Art and Progress in Metal-Hydrogen Systems)
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Half-Sandwich Nickelacarboranes Derived from [7-(MeO(CH2)2S)-7,8-C2B9H11]−
Inorganics 2023, 11(3), 127; https://doi.org/10.3390/inorganics11030127 - 17 Mar 2023
Abstract
New carboranyl thioethers 1-MeO(CH2)nS-1,2-C2B10H11 (n = 2, 3) were prepared by the alkylation of the trimethylammonium salt of 1-mercapto-ortho-carborane with 1-bromo- 2-methoxyethane and 1-bromo-3-methoxypropane, respectively. Their deboronation with cesium fluoride in ethanol
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New carboranyl thioethers 1-MeO(CH2)nS-1,2-C2B10H11 (n = 2, 3) were prepared by the alkylation of the trimethylammonium salt of 1-mercapto-ortho-carborane with 1-bromo- 2-methoxyethane and 1-bromo-3-methoxypropane, respectively. Their deboronation with cesium fluoride in ethanol gave the corresponding nido-carboranes Cs[7-MeO(CH2)nS-7,8-C2B9H11] (n = 2, 3). The reactions of Cs[7-MeO(CH2)2S-7,8-C2B9H11] with various nickel(II) phosphine complexes [(dppe)NiCl2] and [(R’R2P)2NiCl2] (R = R’ = Ph, Bu; R = Me, R’ = Ph; R = Ph, R’ = Me, Et) were studied and a series of nickelacarboranes 3,3-dppe-1-MeO(CH2)2S-closo-3,1,2-NiC2B9H10 and 3,3- (R’R2P)2-1-MeO(CH2)2S-closo-3,1,2-NiC2B9H10 (R = R’ = Bu; R = Me, R’ = Ph; R = Ph, R’ = Me, Et) was prepared. The molecular crystal structure of 3,3-dppe-1-MeO(CH2)2S-closo-3,1,2-NiC2B9H10 was determined by single-crystal X-ray diffraction.
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(This article belongs to the Special Issue Bioactivity of Transition Metal-Based Complexes)
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Inorganic Sorbents for Wastewater Treatment from Radioactive Contaminants
Inorganics 2023, 11(3), 126; https://doi.org/10.3390/inorganics11030126 - 16 Mar 2023
Abstract
The article presents the distribution coefficient (Kd) values of 137Cs and 90Sr tracer radionuclides in solutions of sodium and calcium salts for a wide range of commercially available inorganic sorbents: natural and synthetic aluminosilicates, manganese, titanium and zirconium oxyhydrates,
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The article presents the distribution coefficient (Kd) values of 137Cs and 90Sr tracer radionuclides in solutions of sodium and calcium salts for a wide range of commercially available inorganic sorbents: natural and synthetic aluminosilicates, manganese, titanium and zirconium oxyhydrates, titanium and zirconium phosphates, titanosilicates of alkali metals, and ferrocyanides of transition metals. The results were obtained using a standard technique developed by the authors for evaluating the efficiency of various sorption materials towards cesium and strontium radionuclides. It was shown that bentonite clays and natural and synthetic zeolites are the best for decontaminating low-salt natural water from cesium radionuclides, and ferrocyanide sorbents are the choice for decontaminating high-salt-bearing solutions. The manganese (III, IV) oxyhydrate-based MDM sorbent is the most effective for removing strontium from natural water; for seawater, the barium silicate-based SRM-Sr sorbent is the first-in-class. Results of the study provide a possibility of making a reasonable choice of sorbents for the most effective treatment of natural water and technogenic aqueous waste contaminated with cesium and strontium radionuclides.
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(This article belongs to the Special Issue Inorganic Sorbents in Water Treatment)
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Spectroscopic, Anti-Cancer Activity, and DFT Computational Studies of Pt(II) Complexes with 1-Benzyl-3-phenylthiourea and Phosphine/Diamine Ligands
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, , , , , , , and
Inorganics 2023, 11(3), 125; https://doi.org/10.3390/inorganics11030125 - 16 Mar 2023
Abstract
The reaction between [PtCl2(L-L)] (L-L = dppe, dppp, dppb, dppf, Phen and Bipy) or [PtCl2(PPh3)2] with 1-benzyl-3-phenylthiourea (H2BPT) in a basic medium (CHCl3/EtOH) created new coordinated square planner Pt(II) complexes with
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The reaction between [PtCl2(L-L)] (L-L = dppe, dppp, dppb, dppf, Phen and Bipy) or [PtCl2(PPh3)2] with 1-benzyl-3-phenylthiourea (H2BPT) in a basic medium (CHCl3/EtOH) created new coordinated square planner Pt(II) complexes with [Pt(BPT)(L-L)] (1–4,6,7) and [Pt(BPT)(PPh3)2] (5) types. These complexes were fully characterized by analytical and spectroscopic techniques (i.e., IR, UV. Vis., 1H, and 31P NMR). The results indicated that the thiourea derivative ligand act as a dianion ligand bonded through both S and N atoms in a chelating mode or as a mono-anion ligand coordinated through a sulfur atom with Pt(II) ion. Cytotoxicity activity was performed by the MTT assay to determine anti-cancer activities against MCF-7 breast cancer cells. The study indicated that IC50 values for MCF-7 cells were 10.96–78.90 µM. Additionally, the complexes [Pt(BPT)(dppe)] (1), [Pt(BPT)(PPh3)2] (5), and [Pt(BPT)2(Bipy)] (7) were investigated theoretically, where their quantum parameters were evaluated using the Gaussian 09 program using the theory of B3LYP/Def2TZVP//B3LYP/Lanl2dz. The calculation results confirmed the optimized structures of the complexes square planar geometry. However, the calculated bond lengths and angles showed a slightly distorted square planar geometry due to the trans influence of the sulfur atom. Additionally, complexes of [Pt(BPT)(dppe)] (1) and [Pt(BPT)(PPh3)2] (5) showed higher stability compared to [Pt(BPT)2(Bipy)] (7), which can be attributed to the higher back-donation of (1) and (5) complexes. Furthermore, among the three complexes, the [Pt(BPT)2(Bipy)] (7) complex possessed the lowest HOMO–LUMO gap, which may be a good candidate as the photo-catalyst material.
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(This article belongs to the Special Issue Advances in the Domain of Organometallic Antioxidant and Anticancer Agents)
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Organometallic Iridium Complexes with Glucose Based Phosphite Ligands
by
, , , , and
Inorganics 2023, 11(3), 124; https://doi.org/10.3390/inorganics11030124 - 15 Mar 2023
Abstract
New organometallic iridium compounds with phosphorus modified glucose ligands containing isopropylidene protection group or bearing uracil, thymine, and 5-fluorouracil (3,5,6-bicyclophosphite-1,2-O-isopropylidene-α-d-glucofuranoside, 3,5,6-bicyclophosphite-1-β-D-glucofuranosyluracil, 3,5,6-bicyclophosphite-1-β-D-glucofuranosylthymine, 3,5,6-bicyclophosphite-1-β-D-glucofuranosyl-5-flurouracil) were prepared. The structure of the new complexes was confirmed by the spectroscopic technique (1H, 31
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New organometallic iridium compounds with phosphorus modified glucose ligands containing isopropylidene protection group or bearing uracil, thymine, and 5-fluorouracil (3,5,6-bicyclophosphite-1,2-O-isopropylidene-α-d-glucofuranoside, 3,5,6-bicyclophosphite-1-β-D-glucofuranosyluracil, 3,5,6-bicyclophosphite-1-β-D-glucofuranosylthymine, 3,5,6-bicyclophosphite-1-β-D-glucofuranosyl-5-flurouracil) were prepared. The structure of the new complexes was confirmed by the spectroscopic technique (1H, 31P{1H} NMR) and mass spectrometry, and purity by elemental analysis. The molecular structure of the complex with the isopropylidene protection group was established by the X-ray analysis. The antiproliferative activity of the new iridium compounds was evaluated against several cancer cell lines of human origin, and all compounds showed low toxicity independent of the pyrimidine base nature, attached to the sugar unit.
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(This article belongs to the Special Issue Platinum Group Metals and Their Complexes: Synthesis, Characteristics and Potential Medical Applications)
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Open AccessArticle
H2O·[email protected]70: Encapsulation Energetics and Thermodynamics
Inorganics 2023, 11(3), 123; https://doi.org/10.3390/inorganics11030123 - 15 Mar 2023
Abstract
This report deals with the quantum-chemical evaluation of the energetics and thermodynamics of the simultaneous encapsulation of HF and H O by the IPR (isolated pentagon rule) C fullerene cage, yielding species which
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This report deals with the quantum-chemical evaluation of the energetics and thermodynamics of the simultaneous encapsulation of HF and H O by the IPR (isolated pentagon rule) C fullerene cage, yielding species which were synthesized and characterized recently, thus further expanding the family of fullerene endohedrals with non-metallic encapsulates. The structures were optimized at the DFT (density functional theory) M06-2X/6-31++G** level. The encapsulation energetics were further refined by the advanced B2PLYPD/6-31++G** and B2PLYPD/6-311++G** methods. After enhancement of the B2PLYPD/6-311++G** encapsulation energy for the BSSE and steric corrections, the encapsulation energy gain was obtained, as 26 kcal/mol. The equilibrium encapsulation thermodynamics were described using the M06-2X/6-31++G** partition functions. The results correspond to our previous evaluations for the water dimer encapsulation by C cages.
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(This article belongs to the Special Issue Advances in Fullerene Science)
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Open AccessArticle
Exploring the Emergent Redox Chemistry of Pd(II) Nodes with Pendant Ferrocenes: From Precursors, through Building Blocks, to Self-Assemblies
by
, , , , and
Inorganics 2023, 11(3), 122; https://doi.org/10.3390/inorganics11030122 - 15 Mar 2023
Abstract
Energy-relevant small molecule activations and related processes are often multi-electron in nature. Ferrocene is iconic for its well-behaved one-electron chemistry, and it is often used to impart redox activity to self-assembled architectures. When multiple ferrocenes are present as pendant groups in a single
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Energy-relevant small molecule activations and related processes are often multi-electron in nature. Ferrocene is iconic for its well-behaved one-electron chemistry, and it is often used to impart redox activity to self-assembled architectures. When multiple ferrocenes are present as pendant groups in a single structure, they often behave as isolated sites with no separation of their redox events. Herein, we study a suite of molecules culminating in a self-assembled palladium(II) truncated tetrahedron (TT) with six pendant ferrocene moieties using the iron(III/II) couple to inform about the electronic structure and, in some cases, subsequent reactivity. Notably, although known ferrocene-containing metallacycles and cages show simple reversible redox chemistry, this TT undergoes a complex multi-step electrochemical mechanism upon oxidation. The electrochemical behavior was observed by voltammetric and spectroelectrochemical techniques and suggests that the initial Fc-centered oxidation is coupled to a subsequent change in species solubility and deposition of a film onto the working electrode, which is followed by a second separable electrochemical oxidation event. The complicated electrochemical behavior of this self-assembly reveals emergent properties resulting from organizing multiple ferrocene subunits into a discrete structure. We anticipate that such structures may provide the basis for multiple charge separation events to drive important processes related to energy capture, storage, and use, especially as the electronic communication between sites is further tuned.
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(This article belongs to the Special Issue Metallamacrocycles and Metallacages: Foundations and Applications)
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Layered Double Hydroxide Materials: A Review on Their Preparation, Characterization, and Applications
Inorganics 2023, 11(3), 121; https://doi.org/10.3390/inorganics11030121 - 14 Mar 2023
Abstract
Layered double hydroxides (LDHs), a type of synthetic clay with assorted potential applications, are deliberated upon in view of their specific properties, such as adsorbent-specific behavior, biocompatibility, fire-retardant capacity, and catalytic and anion exchange properties, among others. LDHs are materials with two-dimensional morphology,
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Layered double hydroxides (LDHs), a type of synthetic clay with assorted potential applications, are deliberated upon in view of their specific properties, such as adsorbent-specific behavior, biocompatibility, fire-retardant capacity, and catalytic and anion exchange properties, among others. LDHs are materials with two-dimensional morphology, high porosity, and exceptionally tunable and exchangeable anionic particles with sensible interlayer spaces. The remarkable feature of LDHs is their flexibility in maintaining the interlayer spaces endowing them with the capacity to accommodate a variety of ionic species, suitable for many applications. Herein, some synthetic methodologies, general characterizations, and applications of LDHs are summarized, encompassing their broader appliances as a remarkable material to serve society and address several problems viz. removal of pollutants and fabrication of sensors and materials with multifaceted useful applications in the medical, electrochemical, catalytic, and agricultural fields, among others.
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(This article belongs to the Special Issue Inorganics for Catalysts: Design, Synthesis and Applications)
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