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• A new organic compound, N'-acetyl-4-nitrobenzohydrazide was synthesized. • Characterization of the synthesized compound showed a monoclinic system of -P 2yn. • SEM revealed distinct morphological features and size for the synthesized compounds. • A density functional theory (DFT) study was performed. • The antimicrobial activity of the synthesized compounds was evaluated. The synthesis of a novel water-soluble organic compound, N'-acetyl-4-nitrobenzohydrazide, was successfully achieved using hydrothermal and sonochemical methods. The resulting products, denoted as 1 and 2 , were obtained as single crystals and powder, respectively. Characterization of the crystals through single-crystal X-ray diffraction (SC-XRD) indicated a monoclinic system with space group -P 2yn. Elemental analysis (CHN), energy-dispersive X-ray spectrometer (EDS), Fourier transform infrared spectroscopy (FT-IR), thermal analysis (TGA/DTA), and powder X-ray diffraction pattern (PXRD), were utilized to analyze the molecular structure of 1 and 2 , confirming their identical nature. Furthermore, scanning electron microscopy (SEM) was employed to examine the surface morphology of compounds 1 and 2 , revealing distinct morphological features and varying particle dimensions. The impact of time, temperature, and ultrasonic energy was examined to optimize the morphology and particle size of compound 2. A density functional theory (DFT) study was performed to find the role of intramolecular hydrogen bond (IHB) interactions on the capability of the different tautomers of newly synthesized organic compounds. Various properties such as total energies of tautomers, energies of the most important molecular orbitals, electronegativity, thermodynamic functions, molecular electrostatic potential (MEP) maps, electron charge densities, and aromaticity were computed. The antimicrobial activity of 1 , and 2 have been evaluated against one Gram-positive (Staphylococcus aureus, ATCC 25,923) and one Gram-negative (Escherichia coli, ATCC 25,922) using the disc diffusion method. The analysis of the inhibition zones revealed that 2 exhibit enhanced antibacterial efficacy compared to 1. This observation suggests that particle size reduction may contribute to increased antibacterial activity, potentially due to enhanced interaction with bacterial targets. [Display omitted] [ABSTRACT FROM AUTHOR]

[Display omitted] • A nanostructure complex [Mn (pzo) 2 (H 2 O) 2 ] (MS) was synthesized under ultrasonic irradiation. • [Mn (pzo) 2 (H 2 O) 2 ] (MR) was synthesized under reflux. • MS and MR were used as catalysts in the peroxidative conversion of EB. • In the optimum conditions, the maximum EB conversion of 91 % was attained for MS. • A free radical mechanism was proposed for the oxidation of EB in the presence of MS and MR. An inorganic complex of Mn(II) formulated as [Mn(pzo) 2 (H 2 O) 2 ] where pzo = Pyrazonic acid has been synthesized using two different methods; under ultrasonic irradiation as precipitate (MS) and by reflux as single crystal (MR). The structure of MR was characterized by single crystal X-ray diffraction (SC-XRD). The results of SC-XRD analysis exhibited that MR crystallizes in space group Fdd2 of an orthorhombic system and the centers of Mn2+ adopted a distorted octahedral geometry. MS and MR complexes were characterized by elemental analysis (CHN), atomic absorption spectroscopy (AAS), inductively coupled plasma optical emission spectrometry (ICP-OES), energy-dispersive X-ray spectroscopy (EDXS or EDS), X-ray photoelectron spectroscopy (XPS), Fourier-transform infrared spectroscopy) FT-IR (, powder X-ray diffraction (PXRD), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), scanning electron microscopy (SEM), and Brunner-Emmet-Teller (BET). The results of CHN, AAS, ICP-OES, EDS, XPS, FT-IR and TGA/DTA analyses showed that MR and MS complexes have the same structures. The results of PXRD, SEM, and BET analysis showed that the MR and MS have different particle size, morphology, and textural properties. The MR and MS were used as homogeneous catalysts in the solvent-free oxidation of ethylbenzene (EB) to acetophenone (AP) and benzaldehyde (BA) in the presence of tert -butyl hydroperoxide (TBHP) as an oxidant. Solvent-free oxidation of ethylbenzene is an environmentally friendly method since it does need a solvent. The maximum conversion efficiency in the optimum operating conditions for MS and MR was 86.5 and 71.5 %, respectively. Finally, a free radical mechanism was proposed for the oxidation of ethylbenzene in the presence of MS and MR. [ABSTRACT FROM AUTHOR]

A novel zinc-based pseudohalide metal–organic complex formulated as [Zn(NCS) 4 ].2(C 9 H 8 N) (1) (C 9 H 7 N = quinoline) has been synthesized by a sonochemical process. The structure of 1 has been characterized by elemental analysis, atomic absorption spectroscopy (AAS), Fourier-transform infrared spectroscopy (FT-IR), thermal gravimetric analysis (TGA), differential thermal analysis (DTA) and single-crystal X-ray diffraction (SC-XRD). Complex 1 crystallizes in a monoclinic system, space group P 2 1 /c with unit cell parameters a = 8.5406(6) Å, b = 35.6706(17) Å, c = 8.6418(6) Å, and β = 107.093(7)º. Its structure consists of a tetrahedral [Zn(NCS) 4 ] complex and two molecules of quinoline. In the crystal lattice of complex 1, the [Zn(NCS) 4 ]2- complex anion is stacked in hexagonal-like columns forming 2D layers, each column includes an organic chain formed from one of [C 9 H 8 N]+ organic cations where the other cation separates between layers. The hydrogen bonds and some weak interactions are responsible for linking and strengthening the whole structure. Magnetic measurements revealed that complex 1 is a weak ferromagnet at room temperature. Nanoparticles of ZnO have been successfully synthesized by thermal decomposition of 1 and characterized by FT-IR spectroscopy, powder X-ray diffraction (PXRD), scanning electron microscopy (SEM) and Brunauer–Emmett–Teller N 2 adsorption-desorption analysis. The photocatalytic activity of commercial ZnO and as-obtained ZnO was investigated for degradation of methyl orange (MO) and Bisphenol A (BPA) under UV irradiation. The results revealed that the synthetic ZnO had higher catalytic activity than the commercial ZnO and the highest degradation occurs at pH = 4 and pH = 8 for MO and BPA, respectively. Image 109346 • A novel complex of [Zn(NCS) 4 ].2(C 9 H 8 N) (1) was synthesized. • The structure of complex 1 was studied by single crystal X-ray diffraction. • Magnetic measurement revealed that 1 is a weak ferromagnet. • Nanoparticles of ZnO have been obtained by thermolysis of 1. • The photodegradation ability of ZnO was evaluated using methyl orange. [ABSTRACT FROM AUTHOR]

In the present work, in order to investigate the effect of composition on the magnetic properties of nanoparticles, tri-metallic nanoparticles of Fe-Ni-Zn, Fe-Co-Zn and Co-Ni-Zn were prepared by co-precipitation method. Morphology of nanoparticles was studied by scanning electron microscopy technique (SEM). Also, the samples were characterized using resolution transmission electron microscopy (TEM). Structure of nanoparticles was characterized by powder X-ray diffraction (XRD). Magnetic properties of bulk and nanostructures were studied at room temperature with applied magnetic fields up to 10000 Oe with vibrating sample magnetometer (VSM). The ternary bulk samples of Fe-Ni-Zn, Fe-Co-Zn and Co-Ni-Zn as precursor showed paramagnetic behavior. After calcination, tri-metallic nanoparticles of Fe-Ni-Zn, Fe-Co-Zn and Co-Ni-Zn exhibited superparamagnetic, soft ferromagnetic and hard ferromagnetic behavior respectively. [ABSTRACT FROM AUTHOR]

[Display omitted] • A nanostructure supracomplex [K 3 FeIII (μ-ox) 3 (H 2 O) 3 ] n (UC) was synthesized under ultrasonic irradiation. • [K 3 FeIII (μ-ox) 3 (H 2 O) 3 ] n (HC) was synthesized under hydrothermal conditions. • UC and HC act as homogenous catalysts in the peroxidation of cyclohexane. • UC has higher catalytic activity in the absence or presence of MW irradiation. • For UC by optimizing parameter we were able to increase the yield to 36.3%. A nanostructured supracomplex formulated as [K 3 FeIII (μ-ox) 3 (H 2 O) 3 ] n (UC) where ox-2 = oxalate was synthesized by sonochemical process as an environmentally friendly method. Previously this complex was synthesized under hydrothermal conditions (HC) and characterized by single crystal X-ray structure (SC-XRD). Matching the data obtained from elemental analysis (CHN), energy-dispersive X-ray spectroscopy (EDS), Fourier-transform infrared spectroscopy) FT-IR (, thermogravimetric analysis (TGA), differential thermal analysis (DTA), and powder X-ray diffraction (PXRD) analysis confirmed that UC and HC have the same structure. But in another comparison, the results of scanning electron microscopy (SEM), and Brunner-Emmet-Teller (BET) analysis showed that UC and HC have different particles size, morphology, and textural properties. For the first time, the catalytic activity of the nanostructured Fe (III) supracomplex (UC) was compared with that obtained as single crystal (HC) in the peroxidation of cyclohexane in the absence and presence of microwave (MW) irradiation. Hydrogen peroxide was used as an ideal green oxidant because it does not produce toxic by-products. Also, microwave-assisted peroxidative oxidation of alkanes is an environmentally friendly and green method that avoids harsh reaction conditions such as high heat and contamination of products and reduces the amount of solvent used. Our findings showed that UC has higher catalytic activity, with a total product yield of 15 and 21% in the absence and presence of MW irradiation, respectively. For UC , by optimizing parameters such as temperature, solvent, catalyst, acid and oxidant, we were able to increase the yield up to 36.3%. A free radical mechanism is proposed for the peroxidation oxidation of cyclohexane in the presence of the supracomplex, involving the formation of cyclohexyl radical, its oxidation, and consequent hydroxylation by water. [ABSTRACT FROM AUTHOR]

Abstract: A supramolecular complex formulated as [Cu(dipic)(H2O)2]n (1) (H2dipic = pyridine-2,6-dicarboxylic acid) was sonochemically synthesized and characterized using elemental analysis, FT-infrared spectroscopy (FT-IR), and single crystal X-ray diffraction (SC-XRD). The thermal behavior (TGA/DSC) and luminescent properties of 1 were also studied. Geometric parameters and energies of 1 were calculated using the 6-31G basis set and Gaussian 98 program. CuO nanoparticles were achieved by thermal decomposition of 1 at 600 °C. Next, FT-infrared spectroscopy (FT-IR), X-ray powder diffraction (XRD), scanning electron microscopy (SEM) and nitrogen sorption technique were used to characterize the structure and physicochemical properties of the CuO nanoparticles which were used in the photocatalytic degradation of methyl orange (MO) in the presence of ultraviolet light in a Plexiglas reactor. The effects of irradiation time, methyl orange concentration, and irradiation intensity on the percentage of MO destroyed were investigated. The results showed that in the presence of ultraviolet irradiation and by optimizing irradiation time, color concentration, and irradiation intensity, CuO nanoparticles perform well in degrading methyl orange.Graphical Abstract: [ABSTRACT FROM AUTHOR]

• A new heteronuclear Mn/Cu complex has been synthesized and characterized. • A mixed oxide alumina-supported Cu-Mn catalyst was prepared by thermolysis of complex 1. • The catalyst was examined for CO conversion in the low-temperature water-gas shift reaction. • The results showed strong surface structure-activity dependence. • Maximum CO conversion was achieved at 200 °C. A unique hetero-nuclear complex formulated as [Cu(pydc) 2 Mn(H 2 O) 5 ].2H 2 O (1) where pydc2− = pyridine-2,6-dicarboxylato has been synthesized through a facile and environment-friendly ultrasonic reaction. Complex 1 was characterized by various techniques, including single-crystal X-ray diffraction (SC-XRD). X-ray crystallographic analysis reveals that the parallelepiped green crystals of complex 1 have a monoclinic structure with space group P 2 1 / c. The CuII and MnII centers have distorted square bipyramid geometry, while extensive H-bonding interactions help to produce a three-dimensional network. The bimetallic Cu-Mn/Al 2 O 3 catalyst was prepared by thermal decomposition of [Cu(pydc) 2 Mn(H 2 O) 5 ].2H 2 O/Al 2 O 3. Also, a reference catalyst formulated as Cu-Mn/Al 2 O 3 was prepared via the impregnation conventional method. Characterization of catalysts was carried out using inductively coupled plasma mass spectrometry (ICP-MS), powder X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and Brunauer–Emmett–Teller (BET) surface area. The performance of the catalysts was evaluated for CO conversion in the low-temperature water-gas shift (LT-WGS) reaction in the temperature range of 160–240 °C. A comparison of the WGS performance of these catalysts points out the potential application of inorganic complex in LT-WGS reaction. The catalyst constructed by thermal decomposition of complex 1 shows higher activity than the reference catalyst prepared by the impregnation conventional method. [Display omitted] [ABSTRACT FROM AUTHOR]

• A new complex formulated as [Mn(phen)2(Cl)) (H2O)]. Cl. tu has been synthesized. • α-MnO2/TiO2 as a catalyst was performed using thermal decomposition of the complex. • The potential of the catalyst in the removal of Cd2+ was investigated. • The removal of Cd2+ reached a maximum value at pH 6 with 97% of adsorption capacity. A new weak ferrimagnet inorganic complex formulated as [Mn(Phen) 2 (Cl)) (H 2 O)]. Cl. Tu (complex 1), where phen = 1,10-phenanthroline and Tu= thiourea has been synthesized under sonochemical irradiation and fully characterized by elemental analysis, Fourier-transform infrared spectroscopy (FT-IR), thermogravimetric analysis (TGA), differential thermal analysis (DTA), vibration sample magnetometer (VSM), and single-single crystal X-ray diffraction (SCXRD). Complex 1 crystallizes in a triclinic system, space group Pī with unit cell parameters a = 9.8691(7) Å, b = 11.3619(7) Å, c = 12.8563(7) Å, β =86.007(5), and γ= 77.919(5) at 100 K. The coordination geometry around Mn (II) can be described as a slightly distorted octahedral. In the crystal packing of complex 1 many hydrogen bonds can be found between the non-coordinated chloride atoms and hydrogen atoms of coordinated water molecules. In the following, the sorbent of α-MnO 2 /TiO 2 was prepared by thermal decomposition of new inorganic precursor [Mn(Phen) 2 (Cl)) (H 2 O)]. Cl. Tu/TiO 2. The synthesized sorbent was characterized by FT-IR spectroscopy, powder X-ray diffraction (PXRD), scanning electron microscopy (SEM), and N 2 adsorption-desorption analysis. Batch experiments were carried out at room temperature to study the main parameters such as pH, contact time, and sorbent dosage on the adsorption of Cd2+by α-MnO 2 /TiO 2. It was found that the adsorption of Cd2+ tends to increase with the increase of pH and reached a maximum value at 6 with 97% of adsorption capacity. A regeneration study revealed that α-MnO 2 /TiO 2 can be rapidly separated and repeatedly used for more than five cycles with removal efficiency >90%. [Display omitted] [ABSTRACT FROM AUTHOR]

A new cyano-bridged, FeII–CeIV hetero-binuclear supra-complex formulated as [(FeII) 2 (CN) 6 (CeIV) 2 (CN) 6 (H 2 O) 3 ] n.nH 2 O (1), has been synthesized. Depending on the synthetic conditions, different morphology has been obtained. Using hydrothermal synthesis lead to a micro-structured of complex 1 (MS), while using ultrasonic irradiation resulted a nano-structured of complex 1 (NS). The synthesized complexes were characterized by elemental analysis, Fourier transform infrared spectroscopy (FT-IR), thermogravimetric analysis (TGA), differential thermal analysis (DTA) and scanning electron microscopy (SEM). The crystals of complex 1 have been fully characterized by single-crystal X-ray diffraction (SC-XRD), which revealed an orthorhombic system with space group Cmcm of expected composition. Also, the results of SEM show that the synthesized complexes have the different morphology and particle size. In the following, catalysts of Ce–Fe/SiO 2 - MS and Ce–Fe/SiO 2 - NS were prepared by thermal decomposition of MS and NS complexes, respectively, and characterized by FT-IR spectroscopy, SEM, powder X-ray diffraction (PXRD), and Brunauer–Emmett–Teller (BET) N 2 adsorption-desorption analysis. The catalytic activity of Ce–Fe/SiO 2 - MS and Ce–Fe/SiO 2 - NS was evaluated in the high-temperature water-gas shift reaction (HT-WGS) for hydrogen production. The high CO conversion (93 and 85.5%) was achieved by Ce–Fe/SiO 2 – NS , Ce–Fe/SiO 2 – MS , respectively, which can be mainly ascribed to physicochemical features of these catalysts, such as mesoporous nature, particle size, BET surface area and strong synergistic effects between the Ce and Fe in the Ce–Fe mixed oxides. Image 1 • A new supra-complex of FeII-CeIV has been synthesized. • The structure of complex 1 was studied by SC-XRD. • Catalysts of Ce-Fe/SiO2 were prepared by thermolysis of 1. • The catalysts were tested in the water-gas shift reaction. • The high CO conversion was achieved by the catalysts. [ABSTRACT FROM AUTHOR]

A copper (II) supramolecular coordination complex formulated as [Cu2(μ‐ox)2(pyz)3]n (1), (pyz = pyrazine and ox = oxalate) has been synthesized under ultrasound irradiation. 1 was characterized using various techniques such as elemental analyses, Fourier‐transform infrared spectroscopy (FT‐IR), ultraviolet–visible spectroscopy (UV–Vis), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC) and single crystal X‐ray diffraction (SC‐XRD). A detailed magnetic characterization of complex 1 has been carried by vibrating sample magnetometer (VSM). The M‐H hysteresis loop of 1 revealed a weak ferromagnetic behavior with the highest magnetization of 0.0123 emu/g at room temperature. Compound 1 was used as an inorganic precursor to prepare Cu2O nanoparticles through thermal decomposition at 600 °C. The obtained Cu2O has been characterized using Fourier transform infrared spectroscopy (FT‐IR), X‐ray powder diffraction (XRPD) and scanning electron microscopy (SEM). The results of SEM showed octahedron Cu2O nanoparticles with the edge lengths from 5–80 nm. Also, the adsorption ability and the photocatalytic activity of octahedral Cu2O nanoparticles in the removal of rhodamine B (RB) have been investigated. The results showed that the obtained octahedral Cu2O nanoparticles are effective in adsorption and degradation of rhodamine B from contaminated water sources. The maximum adsorption capacity and degradation efficiency of Cu2O nanoparticles were 83.3 mg/g and 91.7%, respectively. It was also found that in comparison with the commercial Cu2O, our fabricated Cu2O nanoparticles exhibit higher catalytic activity. Highlights: A copper (II) coordination polymer, [Cu2(μ‐ox)2(pyz)3]n (1) was synthesized.The structure of complex 1 was studied by various techniques.Cu2O nanoparticles were obtained through thermal decomposition of 1 at 600 °C.The photodegradation and adsorption ability of Cu2O was evaluated using rhodamine B.The catalytic activity of synthetic Cu2O is higher than those of commercial Cu2O. [ABSTRACT FROM AUTHOR]

This study reports the structural and spectroscopic characterization of a novel metal organic compound formulated as [Fe (bpy)3] [Fe (dipic)2]2.7H2O (1) (dipic = pyridine‐2,6‐dicarboxylate and bpy = 2,2′‐bipyridine). 1 was investigated by elemental analysis, FT‐IR spectroscopy, powder X‐ray diffraction and single crystal X‐ray diffraction (SC‐XRD), which revealed a triclinic structure of expected composition. Thermal degradation of 1 was also investigated. Complex 1 was used as a precursor to prepare superparamagnetic nanoparticles of Fe3O4 by thermal analysis. The obtained Fe3O4 was characterized by Fourier transformed infrared spectroscopy (FT‐IR), powder X‐ray diffraction (XRD) and scanning electron microscopy (SEM). Fe3O4 nanoparticles were used as a nano‐adsorbent to remove Cd2+ from water at room temperature. The results showed that this nano‐adsorbent is effective in removing Cd2+ from contaminated water sources, and that the maximal effectivity of adsorption occurs at pH = 6. Magnetic measurements of complex 1 and Fe3O4 nanoparticles at room temperature revealed paramagnetic and superparamagnetic behavior, respectively. [ABSTRACT FROM AUTHOR]

This study reports the structural and spectroscopic characterization of a novel metal organic compound formulated as [Fe (bpy)3] [Fe (dipic)2]2.7H2O (1) (dipic = pyridine‐2,6‐dicarboxylate and bpy = 2,2′‐bipyridine). 1 was investigated by elemental analysis, FT‐IR spectroscopy, powder X‐ray diffraction and single crystal X‐ray diffraction (SC‐XRD), which revealed a triclinic structure of expected composition. Thermal degradation of 1 was also investigated. Complex 1 was used as a precursor to prepare superparamagnetic nanoparticles of Fe3O4 by thermal analysis. The obtained Fe3O4 was characterized by Fourier transformed infrared spectroscopy (FT‐IR), powder X‐ray diffraction (XRD) and scanning electron microscopy (SEM). Fe3O4 nanoparticles were used as a nano‐adsorbent to remove Cd2+ from water at room temperature. The results showed that this nano‐adsorbent is effective in removing Cd2+ from contaminated water sources, and that the maximal effectivity of adsorption occurs at pH = 6. Magnetic measurements of complex 1 and Fe3O4 nanoparticles at room temperature revealed paramagnetic and superparamagnetic behavior, respectively. [ABSTRACT FROM AUTHOR]