Inorganic Chemistry Research
Volume:7 Issue: 1, Jun 2023

Three Schiff bases, named (H2Ln), successfully synthesized by condensing different 3,5-dihalosalicylaldehyde (chloro, bromo, and iodo as haloatoms) with 2,2-Dimethyl-1,3-propanediamine. Furthermore, their transition metal complexes, denoted as (MLn), prepared by refluxing the Schiff bases with corresponding metal(II) acetate. To thoroughly analyze the synthesized compounds, various spectroscopic techniques such as: FT-IR and 1H NMR, along with analytical methods like CHN analysis employed. To assess their antibacterial activity in vitro, the compounds tested against two categories of bacteria: Staphylococcus aureus and Bacillus cereus representing Gram-positive bacteria, and Escherichia coli and Pseudomonas aeruginosa representing Gram-negative bacteria. As reference antibacterial agents, Ampicillin and Erythromycin were used for comparison.

The cocrystal Copper-Cerium based on 1, 10-phenanthroline, [Cu(Phen)3][Ce(Phen)(NO3)5] (C), was synthesized by condensation of Ce(NO3)3.6H2O, Cu(ClO4)2, and 1, 10- phenanthroline in ethanol solution. Newly synthesized cocrystal was characterized by FT-IR, UV-Vis, and elemental analysis. The crystal structure of C was determined by X-ray crystallography. Antibacterial activity of compounds was evaluated against two gram-positive S. aureus, S. saprophyticus and one gram-negative P. aeruginosa bacteria, by the disk-diffusion method. The antibacterial efficacy of the compounds in the concentration range of 10–40 μg/D is demonstrated by determining the inhibition zone.

A theoretical study is reported on the strength and nature of metal-ligand bond in some dianionic metal-bis(dithiolate) complexes [ML2]2– (M=Ni(II), Pd(II), Pt(II); L= S_2 C_2 H_2^(2-) (edt2‒), S_2 C_2 Me_2^(2-) (dmedt2‒), S_2 C_2 〖(CN)〗_2^(2-) (mnt2‒)). Firstly, the geometries of all complexes were optimized at the BP86 and M06 levels of theory using the def2-TZVP basis set. Then the metal−dithiolate and metal(dithiolate)−dithiolate interaction energies, the deformation energies of metal and dithiolate ions as well as the total interaction and stabilization energies of the complexes were calculated and compared. In continuation, an energy decomposition analysis (EDA) was performed to study the nature of metal−bis(dithiloate) bonds in these complexes. The results showed that among the metal complexes studied here, the Pt complexes have the largest values of interaction and stabilization energies. On the other hand, in the case of all three metal ions, the values of total interaction energies and also stabilization energies of [M(edt)2]2– and [M(dmedt)2]2– complexes are similar or close together and both are larger than those for [M(mnt)2]2– complexes. The analysis of metal−(bis)dithiolate bonds showed that the orbital interactions are mainly Ni←Lσ interactions and have considerably less contribution to the total attractive interactions compared to electrostatic interactions.

Two new Cu(II) complexes, [Cu(L22py)Cl]ClO4 (1), Cu(L22pysa) (2), {L22py = N-(2-pyridylmethyl)-N-(2-aminoethyl)-1,2-diaminoethane, were prepared through the reaction of suitable metal ion salts, L22py, and salicylaldehyde in the presence of NaClO4. The ligands were characterized by elemental analysis, IR spectroscopy, and 13C and 1H NMR analysis. Additionally, X-ray crystal structure analysis was performed for complex 1. The X-ray study revealed that the Cu(II) ion exhibits a square configuration.

In this work, spherical α-Fe2O3 were synthesized using the facile co-precipitation followed by calcination at 500°C (Fe-1) and 700°C (Fe-2) for 3 h. The as-synthesized Fe-1 and Fe-2 samples were characterized by Fourier-transform Infrared (FT-IR) spectroscopy, X-ray powder diffraction (XRD), vibrating sample magnetometer (VSM) and transmission electron microscope (TEM). All results predict the successful preparation of Fe-1 and Fe-2 as soft magnetic materials. In addition, the photocatalytic activity of as-synthesized Fe-1 and Fe-2 were evaluated by degrading methylene blue (MB) dye is aqueous solution under simulated sunlight irradiation at low alkaline pH in the presence of a small amount of H2O2 as an oxidant. The effects of the initial pH of the solution and irradiation time on the photocatalytic properties were investigated. Under the best optimized conditions, Fe-1 exhibited better MB degradation with 94% efficiency than Fe-2 (78%). The kinetic study showed that the photocatalytic degradation of MB was followed by a pseudo first-order (PFO) model. The reusability studies of the samples predicted good stability and efficiency after 6 cycles.

In this paper, a facile one-pot two-component synthesis of arylidene barbituric acid derivatives (Knoevenagel reaction) in the presence of heterogeneous catalyst of as-prepared Fe2O3 and Fe2O3/MFe2O4 (M = Cu and Ni) nanoparticles under mild reaction condition is described and discussed. The as-prepared MFe2O4 nanoparticles were characterized by FT-IR, XRD, BET and SEM. They are used as efficient heterogeneous catalysts for the one-pot two-component synthesis of arylidene barbituric acid derivatives and the effect of important parameters such as solvent and amount of catalyst was investigated on the efficiency production of arylidene barbituric acid derivatives. The results of catalytic studies confirmed high activity of as-prepared nanoparticles as heterogeneous catalysts. Finally, the arylidene barbituric acid products were obtained on high purity. The products were characterized by FT-IR, 1H-NMR and melting point. This process is simple and provides high yields of products in short reaction times.

The bidentate Schiff-base ligand, N,N'-bis((E)-3-phenylallylidene)-4-nitro-1,2-phenylenediamine, [L], was synthesized and characterized along with its Cu(II) complexes, CuLX2 (where X = Cl and Br). The characterization involved elemental analysis, 1H NMR, 13C NMR, FT-IR, and UV-Vis spectroscopy, as well as thermal and conductivity studies. The elemental analyses of these complexes were consistent with the stoichiometry of the type CuLX2. The confirmation of their stabilization and their slight electrolytic nature is reinforced by their low molar conductivity. Furthermore, the alterations in both the location and shape of the peaks in the UV-Vis and FT-IR spectra of the complexes, relative to those of the free ligand, serve as additional evidence supporting the formation of Schiff-base complexes. Also, cathodic and anodic shifted in the potential’s peaks of complexes compared to free ligand approve formation of compounds. Catalytic activity of these complexes in the room temperature deoximation using sodium periodate were studied. Obtained aldehydes and ketones as single products in excellent yields confirm catalytic activity of these complexes. Lastly, in vitro cytotoxic features of all samples studied against A549 and HT29 cancer cell lines and the outcomes exhibited excellent cytotoxic potential of synthesized complexes.

With the remarkable progress seen in perovskite solar cell technology over the past few years, scientists have dedicated significant efforts to exploring the unique characteristics of perovskite halide materials like CsPbI3. This particular perovskite exhibits a comparatively higher stability when compared to other inorganic alkaline cations. In other words, given the rapid development of perovskite solar cells in recent years, researchers have paid special attention to studying the properties of perovskite halide materials such as CsPbI3. This perovskite is relatively more stable than other inorganic alkaline cations. For this reason, this work is dedicated to the study of the electronic structure of CsPbI3 in bulk, super cell and slab modes of this material. For this purpose, the quantum espresso package, which is based on density functional theory, was used. In the first step, a variable cell stability algorithm was implemented to achieve the lowest total energy value and to obtain the optimal grid parameters in bulk mode. Also, the ultra-soft quasi-potentials and pbe correlation performance of the quantum espresso site were used as the input file data wherever needed. To examine the surface properties of this perovskite, a three-layer slab with Miller 001 indices was designed and fabricated. In other words, the (001) surface of the emerging photovoltaic material cesium lead triiodide (CsPbI3) is studied. Also, a super cell with dimensions of 2 * 2 * 2 was made and its electronic structure was studied. We found that our results are consistent with those of other works whatever available.

A new vanadium complex was prepared by reacting [VO(acac)2] with an ONO isonicotinohydrazone ligand. Various techniques including UV-Vis, FT-IR, CHN, and SC-XRD were utilized to characterize the synthesized complex. The data collected from the diffraction study showed that the vanadium ion is hexa-coordinated and has a distorted octahedral geometry. The VV ion is coordinated to O,N,O donor sites of the liagnd and a methoxide O atom in the equatorial positions, while methanolic and oxo O atoms occupy the axial sites. Moreover, the catalytic activity of the vanadium complex was studied in the sulfoxidation reaction of different sulfides using hydrogen peroxide.

From reaction mixtures containing 1,2-di(pyridin-Y-yl)diazene derivatives (“azopyridines”; Y,Y’-azpy; Y = 2, 3, or 4) and metal precursors such as Cu(II), Co(II), Mn(II), Bi(III), and Fe(III) salts or elemental Sn, in aqueous concentrated HX (X = Cl, Br, I) solutions, we obtained single crystals of the new 1-D pseudo-perovskite structures (4,4’-azpyH2)[Cu2Cl6], (4,4’-azpyH2)[MnCl2(H2O)2]Cl2, (4,4’-azpyH2)21[Cu2I4(I3)2](I2) (2,2’-hydpyH2)1[Cu2I4], (4,4’-hydpyH2)1[Cu2I4], and the 0-D pseudo-perovskite structure (4,4’-hydpyH2)[BiI6](I3), along with non-perovskite salt-like structures. Some structures contain protonated azopyridinium (azpyH22+) dications, obtained through protonation of the starting azopyridines, while others contain hydrazopyridinium (hydpyH22+) cations, produced in a reduction-protonation reaction. Starting from Cu(II) salts, we found the metal reduced to Cu(I) in the presence of iodide, but not for chloride. The azopyridine-containing structures are easily discriminated from hydrazopyridine derivatives by their negligible C–N–N–C torsion angles and unequivocal anti-conformations. The hydrazopyridine moieties showed C–N–N–C torsions ranging from 99 to 133° and the conformations around the hydrazo –HN–NH– moiety are best described as anti-clinal.