Inorganic Chemistry Research
Volume:5 Issue: 2, Dec 2021

At first, new pendant Schiff base PVC-en-3MSSB was prepared by modification of PVC at the presence of ethylene diamine and 3-methoxy salicylaldehde (3MS). Then, from the reaction of PVC-en-3MSSB and Cu(OAC)2 or VO(acac)2, PVC pendant complexes PVC-en-3MSSB-Cu (1) and PVC-en-3MSSB-VO (2) were prepared. All compounds were characterized by FT-IR, XRD, TGA, DTA and TEM. FT-IR and XRD results confirmed the preparation of all compounds. TGA results show that the stability of complex 1 is higher than 2 and PVC-en-3MSSB. In addition, the catalytic properties of the complexes in Knoevenagel condensation for synthesis of 4-hydroxysalicydenebarbituric acid are investigated and the results show that the vanadium(IV) complex has a better catalytic properties.

The organometallic Pd(II) complexes [Pd(Phbpy)X] (X = Cl, Br, or I) containing the tridentate C^N^N cyclometalating ligand 6-(phen-2-ide)-2,2’-bipyridine (–Phbpy) were synthesised through oxidative addition using the protoligands X‒Phbpy (X = Cl, Br, and I) and [Pd2(dba)3] tris(dibenzylideneacetone)dipalladium(0) in yields ranging from 23 to 51%. Further complexes [Pd(YPhbpy)Cl] resulted from C‒H palladation of the protoligand derivatives Y‒Phbpy with Y = F, Cl, Br, H, HO, MeO, and triflate) with K2PdCl4 in yields ranging from 52 to 98%. All protoligands and Pd(II) complexes were fully characterised using mass spectrometry (MS), nuclear magnetic resonance (NMR) spectroscopy, and single crystal X-ray diffraction (XRD) for Y = F, MeO. The complexes were studied in detail using electrochemical (cyclic voltammetry) and spectroelectrochemical (UV-vis absorption) methods and UV-vis absorption spectroscopy. Relative shifts in the potentials of the ligand centred electrochemical reductions in the range ‒1.7 to ‒2.7 (vs. ferrocene/ferrocenium) or the Pd‒X centred oxidations around +1 V are in excellent agreement with variations in the density functional theory (DFT) calculated highest occupied molecular orbitals (HOMO) and lowest unoccupied molecular orbitals (LUMO) constitutions. Long-wavelength absorption maxima attributable to metal(d)-to-ligand(π*) charge transfer transition observed in the range 350 to 550 nm were successfully modelled using time-dependent methods (TD-DFT) showing small contributions from triplet states.

In this work, K-OMS compound was synthesized and then K was exchanged with Cu. In the second step Cu-OMS introduced to NaY zeolite and the synthesis zeolite/Cu-OMS hybrid materials were characterized by several techniques: Fourier Transform Infrared spectroscopy (FTIR), X-ray diffraction (XRD), thermogravimetric analysis (TGA) and Burner-Emmet-Taller (BET). The results showed that a new structure from zeolite and OMS was obtained. The catalytic activity of zeolite/Cu-OMS was investigated for oxidation of phenol to catechol and hydroquinone in present of hydrogen peroxide (H2O2) as oxidant in different solvents. The activity of phenol oxidation decreases in the series Cu-OMS-2/NaY>OMS-2/NaY at mild conditions. The effect of different factors such as amount of catalyst, temperature, type of oxidant and solvent was investigated. Finally, the kinetic of phenol oxidation with excess H2O2 over zeolite/M-OMS catalysts at several temperatures (40, 60 and 80 °C) was studied. These catalysts were very stable and could be reused for more than three times. The results showed a pseudo-first order kinetic with respect to phenol and the catalytic reaction occurred via a radical mechanism. Some advantages of this green catalyst are easy purification, environmental friendly, low catalyst loadings and non-toxic nature

A dioxomolybdenum(VI) complex was successfully synthesized by the reaction between [MoO2(acac)2] and a tridentate ligand obtained from the condensation of 4-aminobenzohydrazide and 3-ethoxysalicylaldehyde. The structures of synthesized products were explored through elemental analysis (CHN) and various spectroscopic techniques such as FT-IR, 1H NMR, and 13C NMR. Moreover, the complex was utilized in the selective oxidizing of benzylic alcohols to the corresponding aryl aldehydes by the use of urea hydrogen peroxide (UHP) in acetonitrile under reflux conditions. The present protocol has several advantages, including short reaction times, high product yields, and simplicity in operation.

In this project, three nanoscale M-Al LDHs, which M is a divalent metal (Mg2+, Zn2+ and/or a mixture of them and LDH = Layered Double Hydroxide) were synthesized by co-precipitation and characterized by general techniques, such as FTIR, XRD, FESEM, and EDS. LDHs have got different physical properties, such as; crystal size, lattice parameters, morphology and drug delivery. These M-Al LDHs were used as drug carriers for diclofenac and ibuprofen, which adsorption and release percentages of drugs by them were studied and compared. The results showed that Al-LDHs including transition metal (Zn2+) are suitable for drug delivery purposes. As the mixed divalent (Zn/Mg)-Al LDHs are more efficient drug carriers for both diclofenac and ibuprofen drugs.

In this study, a nanohybrid modified glassy carbon electrode (GCE) was successfully fabricated with a tri-component nanocomposite consisting of (1,1'-(1,4-Butanediyl) dipyridinium) ionic liquid (bdpy), PW11O39Co(H2O) (PW11Co) polyoxometalate (POM), and carboxyl functionalized multi-walled Carbon Nanotubes (MWCNTs-COOH) by drop-casting, followed by electrodeposition technique. The morphological, electrochemical, and electrocatalytic properties of the (bdpy)PW11Co/MWCNTs-COOH/GCE were investigated by field emission scanning electron microscopy (FE-SEM) combined with energy-dispersive X-ray spectroscopy, voltammetry, and amperometry methods. The FE-SEM images well showed immobilization of (bdpy)PW11Co/MWCNTs-COOH on GCE through deformation of the mirror surface to the rough surface. The electrochemical test results confirmed that modified electrode has high stability and remarkable electrocatalytic behavior toward the reduction of iodate ion. The proposed sensor displayed two linear ranges of 10.0-200.0, and 200.0-1600.0 µmol L-1 with LOD of 27.6×10-2 µmol L-1 (S/N=3), and sensitivity of 41.0 µA mmol L-1, and 20.0 µA mmol L-1, respectively, by amperometry method. Moreover, the results of the electrochemical experiments indicated that this sensor has excellent selectivity, good reproducibility, repeatability, and analytical performance in real samples.

Herein, it is reported that the nanocomposite of graphene quantum dot (GQD) and NiFe-layered double hydroxide (LDH) is a highly active and stable electrocatalyst for water oxidation. The GQD/NiFe-LDH composite was prepared using the hydrothermal method and investigated using X-ray diffraction (XRD) and Scanning electron microscopy (SEM). Based on the XRD and SEM results, the synthesis of GQD/NiFe-LDH was confirmed.  Then, the GQD/NiFe-LDH composite was applied as an effective electrocatalyst for water oxidation. The obtained results from linear sweep voltammetry (LSV) curves show that GQD/NiFe-LDH improved water oxidation reaction with the overpotential of 323 mV in neutral media in comparison with pure NiFe-LDH, GQD, and RuO2. The improved oxygen generation is due to the association of NiFe-LDH nano-plate with GQD. High activity of GQD/NiFe-LDH can be attributed to excellent electrical conductivity from GQD and high electrochemical activity due to the presence of NiFe-LDH. The stability of the electrocatalyst was investigated by water oxidation for 5.5 h.

This study provides data on the performed synthesis of Metal-organic framework MIL-101(Cr) nanostructure through the application of a hydrothermal method. The prepared catalysts were characterized by the means of FESEM/ EDAX/PSA, FTIR, UV-Vis, BET, and XRD analyses. As the obtained XRD pattern approved the synthesis of MIL-101(Cr) by displaying diffraction peaks, the FESEM images also demonstrated the octahedral construction of this product. In addition, we evaluated the photocatalytic functionality and adsorption of MIL-101(Cr) for degrading methylene blue (MB) dye under UV light and dark conditions, respectively. According to the results, this product displayed an excellent potential for the removal of organic pollutants from aqueous solutions. However, the best outcomes were attained through the sonication method, since the structure and degradation properties of particles were improved due to the usage of chemical sonic.

The electrochemical activity of the Cu2O/AlZn-LDH, deposited on the FTO electrode, was investigated in NaOH (0.1 M) media. The thin film Cu2O/AlZn-LDH was characterized by techniques such as X-ray diffraction (XRD), scanning electron microscopy (SEM), and energy-dispersive X-ray spectroscopy (EDX). Based on the obtained results from XRD, Cu2O/AlZn-LDH was prepared in the nanometer size with good crystalline quality. The SEM images were shown the synthesis of a thin film Cu2O/AlZn-LDH nanocomposite on the FTO electrode. The water oxidation results show that Cu2O-Zn/Al-LDH modified FTO electrode is an improved electrocatalyst and has high activity at water oxidation in alkaline media with the onset potential about 0.6 V vs. SCE and overpotential of 380 mV at10 mA/cm. The improved water oxidation activity at Cu2O/AlZn-LDH can be attributed to the good conductivity of the nanocomposite.

The use of superparamagnetic iron oxide nanoparticles (SION) in targeted drug delivery has become widespread because they can be directed at cancerous tissue by applying an external magnetic field. In this work, we used quantum chemical calculations to investigate whether SIONs are suitable for the anticancer drug lenalidomide (LLM). For this purpose, using a suitable model for SION in aqueous solution, seven possible configurations of drug-carrier interaction were considered (SION/LLM1-7). The binding energies of optimized configurations were evaluated at M06-2X/6-31G(d,p). The most stable configurations (SION/LLM6 and SION/LLM7) occur when the drug is parallel to the nanoparticle ring. In these cases, the most and strongest hydrogen bonds are obtained. Large negative values of binding and solvation energies indicate high drug loading and acceptable solubility. Due to the essential role of hydrogen bonds in this drug delivery system, these bonds were studied in detail by quantum theory of atoms in molecules (QTAIM).

In the present study, the effect of transition elements on structural properties and electronic and linear optical and nonlinear optical (NLO) properties of fullerene C20 was studied by replacing the transitions elements such as Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn with one of the C20 carbon atoms at theoretical B3LYP/6-31+G(d) level. Frequency calculations for all optimized structures show no imaginary frequency which is the important evidence for their stability. It was observed as the result of the doping of transition metals the values of Eg (highest occupied molecular orbital–lowest unoccupied molecular orbital gap) was reduced which shows improving the electrical properties of the C20 by doping the transition metal atoms instead of one of the carbon atom. Additionally, transition metal doping in the C20 nanocluster enhances its dipole moment which the C19Sc nanocluster has the highest and the C19Cu has the lowest dipole moment. Finally, it has been demonstrated that in the presence of the first raw transition metal of periodic table in C20, the values of polarizability and first hyperpolarizability (α and β0) increases which the highest values of α and β0 was obtained via Sc and Mn atoms doping.

We explored solvent effect on the structural, 119Sn NMR chemical shift and electronic spectrum for a N-heterocyclic carbene complex of stannocene, Cp2SnNHC, using MPW1PW91 method. The self-consistent reaction field theory (SCRF) based on conductor-like polarizable continuum model (PCM) was used to illustrate the solvent effects. The correlations between the computed parameters and solvent polarity functions (dielectric constant (e) and refractive index (nD)) were provided. Correlations of the calculated spectral parameters (d(119Sn) and lmax) with the Kirkwood-Bauer-Magat equation (KBM) and improved form of this equation were provided. Fukui function and dual descriptor were used to reveal the study the favorable site of electrophilic attack.