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In this study, the combination of octahedral Zn 2 SnO 4 with the carbon quantum dots (CQDs) is pioneered for the efficient detection of triethylamine. CQDs-modified Zn 2 SnO 4 materials were synthesized to perform rapid detection of trace triethylamine present in air. In the gas test, the optimal composite's response value to triethylamine is 600% higher than the value of the original Zn 2 SnO 4 to triethylamine, and the tendency of selective to triethylamine is more than ten times than other kinds of gases and possesses a short response/recovery times of 18 s/29 s. The exceptional properties of the composite are attributed to the superb electron transport capacity brought by the modification of 5 nm carbon quantum dots. The novel material will solve the issues of slow reaction time and low response of previous materials in detecting triethylamine. [ABSTRACT FROM AUTHOR]

This study used micro-analyses, (FTIR, UV-Vis) spectra, magnetic, thermogravimetric, X-ray powder diffraction (XRD) patterns, and transmittance electron microscopy (TEM) techniques to characterize three synthesized theophylline (TPH) complexes with ruthenium(III), platinum(IV), and iridium(III) metal ions. The metal ions indicated above were found to align with the TPH drug chelate as a mono-dentate ligand via the deprotonated NH group at the nitrogen atom position N7, as verified by FTIR measurements. Additionally, the complexes conductivity and magnetic susceptibility were examined. The octahedral geometry for the synthesized complexes was proposed by the current data. Except for the iridium(III) complex, which has a non-electrolytic nature due to the presence of a chlorine atom inside the chelation sphere, the molar conductivity of the complexes in DMSO solution was electrolyte in nature. Theophylline complexes with a (metal: ligand) stoichiometry of 1:2 were produced. The TPH complexes have also been tested in vitro against G(+) bacteria (Bacillus subtilis and Staphylococcus Aureus) and G(-) bacteria (Pseudomonas aeruginosa and Escherichia coli) to evaluate their antibacterial efficacy. Human breast and liver cancer cell lines were used as a test for the TPH complexes in vitro anti-cancer properties. [ABSTRACT FROM AUTHOR]

The spectral features and structural factors influencing the formation of luminescence bands of Ce3+ ions in YAG:Ce crystals are considered. The energy levels of the 4f shell of Ce3+ ions occupying both dodecahedral and octahedral sites of the crystal lattice have been determined. The participation of Ce3+ ions and ions in the structure of the luminescence band was shown and the multicenter structure of Ce3+ ions in the 4f ↔ 5d transitions of the activator was determined. [ABSTRACT FROM AUTHOR]

Hydrogen has a crucial role in preventing deactivation of sulfated zirconia (ZS). Hydro-isomerization of n-hexane is carried out with (ZS) doped with molybdenum mechanically mixed platinum supported by alumina. This catalyst presents an important improvement of the activity and stability compared to the non-doped one. At 443 K, doped and non-doped catalysts present, respectively, the activities 3 × 10–8 and 2 × 10–8 molL−1 g−1. By increasing temperature, while doped catalyst activity rises to 2.6 × 10–7 molL−1 g−1, the activity of the non-doped one drops to 3.4 × 10–9 molL−1 g−1. Characterization of solids by XRD shows the presence of ZrO2 tetragonal phase in all the solids. Raman spectroscopy confirms this finding. UV–Visible spectroscopy shows influence of calcination temperature on molybdenum geometry. At low temperature (673 K), specific surface area is developed (SBET = 144 m2 g−1) and the metal is in tetrahedral geometry as MoOx. Those sites enhance acidity and generate acid sites utilizing an atomic-scale spillover effect of H2 on platinum particles. [ABSTRACT FROM AUTHOR]

The current work aimed to fabricate a new cocaine sensor of octahedral palladium‐doped cobaltite composite (Oh‐Pd2+ : Co3O4‐C) using a simple hydrothermal protocol. As‐fabricated cocaine sensing approach was validated by various methods. Energy dispersive X‐ray analysis, X‐ray diffraction and scanning electron microscopy were recruited to characterize our charged modified composite. The electrode could sensitively detect cocaine, with a lengthy linear range (0.01 μM–900.0 μM) and a limit of detection (1.3 nM). The quantitative cocaine determination was achieved in the biological specimens using our modified electrode, the results of which displayed admirable outcomes. [ABSTRACT FROM AUTHOR]

We aim to study and investigate the structural, optical, topographical, and morphological properties of Nb2O5 thin films deposited under vacuum Q-switched Nd: YAG pulsed laser for the first time to the best of our knowledge. The obtained results of this study can contribute in different fields of applications including the optoelectronic and biomedical fields. The fundamental (1064 nm) and the visible second harmonic (532 nm) wavelengths were utilized for this purpose. The laser energy was fixed at 657 mJ. The number of pulses and the substrate temperatures were 200 laser shots and 450 °C, respectively. The observed Xray diffraction patterns were assigned for T-Nb2O5 that refers to the orthorhombic and HNb2O5 which is related to the monoclinic phases supported by Raman spectra analyses. Nb2O5 thin film deposited by Nd: YAG fundamental wavelength (1064 nm) showed a thicker film, a higher surface roughness and, on average, a larger particles size It also provided better matching of the lattice d-spacing with the standard d-spacing obtained by JPCDs cards 00-030-0873 and 00-009-0372. The optical properties including the band gap values for both direct and indirect transitions were estimated with the lower gap was reported for the thin film prepared at the fundamental wavelength. The photoluminescence analyses supported that the transitions of both prepared films were indirect. FE-SEM clarified the surface morphology of each prepared film. The EDX analyses provided the elemental compositions and the purity of the Nb2O5 prepared films. [ABSTRACT FROM AUTHOR]

In the title complex, [Zn(C15H10ClN3)2](CF3SO3)2, the ZnII metal center is sixfold coordinated by three nitrogen atoms of each 4-chloroterpyridine ligand in a distorted octahedral geometry with triflouromethanesulfonate ions completing the outer coordination sphere of the complex. π–π stacking interactions between the pyridyl rings in adjacent molecules contribute to the alignment of the complexes in layers along the c axis.

[Display omitted] In this contribution, based on density Functional Theory, we focus on studying the structural and dynamic stability of octahedral and icosahedral beryllium nitride (Be 3 N 2) x fullerenes and their symmetry equivalent carbon molecules. The icosahedron structure of beryllium nitride and carbon-based fullerenes shows hybrid features, between a sphere and a polyhedron. Nevertheless, the cohesive energies of carbon fullerenes are slightly lower than those of beryllium nitride based on Be 3 N 2 units. Although icosahedral I h (1,1) and I h (2,2) (Be 3 N 2) 30 and (Be 3 N 2) 120 are energetically slightly less favorable than their corresponding carbon fullerenes, they showed chemically stable structures. IR & Raman spectra are also simulated using a coupled-perturbed KS/HF scheme permitting their identification. Importantly, no imaginary frequency is recorded in their vibrational spectra which confirms an inherent dynamic stability. These results provide valuable insights that can be extrapolated to other noncarbon nanostructures containing pentagonal rings or pentagonal defects. [ABSTRACT FROM AUTHOR]

Iron(II)-Schiff base complexes are a well-studied class of spin-crossover (SCO) active species due to their ability to interconvert between a paramagnetic high spin-state (HS, S = 2, 5T2) and a diamagnetic low spin-state (LS, S = 0, 1A1) by external stimuli under an appropriate ligand field. We have synthesized two mononuclear FeII complexes, viz., [Fe(L1)2](ClO4)2.CH3OH (1) and [Fe(L2)2](ClO4)2.2CH3CN (2), from two N6–coordinating tridentate Schiff bases derived from 2,6-bis[(benzylimino)methyl]pyridine. The complexes have been characterized by elemental analysis, electrospray ionization–mass spectrometry (ESI-MS), Fourier-transform infrared spectroscopy (FTIR), solution state nuclear magnetic resonance spectroscopy, 1H and 13C NMR (both theoretically and experimentally), single-crystal diffraction and magnetic susceptibility studies. The structural, spectroscopic and magnetic investigations revealed that 1 and 2 are with Fe–N6 distorted octahedral coordination geometry and remain locked in LS state throughout the measured temperature range from 5–350 K. [ABSTRACT FROM AUTHOR]

Cadmium substituted Co-Zn ferrites Co0.5Zn0.5CdxFe(2-x)O4 (x=0.0, 0.1, 0.2, 0.4, and 0.5) were fabricated by using the Co-precipitation method. The molecular composition and prepared samples of cubic spinel structureswas characterized using X-ray diffraction peak (XRD). X-ray diffraction patterns obtained the most intensive peak at (311) crystallographic planes for x=0.5. Williamson-Hall (W-H) relation was associated with XRD data to determine the crystallite sizes range from 25.356 nm to 35.632 nm and strain value brought into being 0.0024 to 0.0021. Tetrahedral and octahedral sites of hoping length were found to diminish from 3.6707Å-3.6332Å and 2.9967Å-2.9662Å respectively due to the addition of Cd ion concentration. TEM analysis reveals the presence of spherical shape nanoparticles with agglomeration for the prepared samples. It could be referenced based on the investigation of results for molecule size by two XRD and TEM strategies which demonstrate the development of nanomaterials and doping of cobalt ferrites. TEM results are well agreed with the XRD diffraction pattern in crystallite size by using Scherrer's formula. Fourier Transform Infrared Spectroscopy (FTIR) spectra analysis were carried out on synthesized ferrite samples and observed v1 and v2 strong absorption band in the range 400-4000 cm-1 be the possession to tetrahedral (A) and octahedral (B) sites. In FTIR, the increase of Cd2+ ion in Co-Zn ferrites leads to diminishing peak values towards lower wavenumbers. It is feasible to tune the magnetic characteristics of cobalt ferrite as a potential material for diverse technological applications by substituting Zn2+ and Cd2+ for cobalt magnetic ions. [ABSTRACT FROM AUTHOR]

A chelating ligand of thioether with ONS donor Schiff base HL [(E)-2-(((2-(benzylthio)phenyl)imino)methyl)napthalen-1-ol] and its metal complexes (RuL1 and RuL2) have been synthesized. They have been characterized by UV–Vis, FTIR, 1H NMR, 13C NMR, mass spectrometry methods. The formulas of the synthesized compounds have been confirmed by elemental analysis and magnetic susceptibility measurements. The binding ability studies of the ligand (HL) and its Ru complexes (RuL1 and RuL2), with calf-thymus DNA have been explored by the absorption titration method. The binding interaction study reveals that the ligand (HL) and the complex RuL1 interact with CT-DNA through an intercalative mode of binding whereas the complex RuL2 does not show any interaction with CT-DNA due to steric effect. [ABSTRACT FROM AUTHOR]

[Display omitted] • Zinc copper ferrite@MWCNT was prepared via a simple hydrothermal method. • Structural and morphological analysis of composite using XRD, FESEM, and HRTEM. • It showed a high specific capacity of 646 mAh g–1 after 800 cycles at 500 mA g−1. • Composite material reveals good rate capability and outstanding cyclic stability. In this study, a novel nanocomposite material comprising pure Fe 3 O 4 (FO), doped Zn 0.5 Cu 0.5 Fe 2 O 4 -3 (ZCFO-3), and Zn 0.5 Cu 0.5 Fe 2 O 4 -3@ Multi-walled carbon nanotube (ZCFO-3@MWCNT) nanocomposite material is carefully prepared using a simple one-step hydrothermal process. Comprehensive surface and morphological analysis are conducted using X-ray diffraction (XRD), Field emission scanning electron microscopy (FESEM), and High-resolution transmission electron microscopy (HRTEM), while compositional studies are investigated through Raman spectroscopy and X-ray photoelectron spectroscopy (XPS). The electrochemical performance is fully analyzed through Cyclic voltammetry (CV), Electrochemical impedance spectroscopy (EIS), rate capability tests, discharge/charge capacity, and cyclic stability evaluations. Among these three nanomaterials, ZCFO-3@MWCNT nanocomposite at 100 mA g−1 current density reveals the best performance, with a discharge capacity of 1974 mAh g–1, ZCFO-3 and FO reveal 1340 mAh g–1 and 1317 mAh g–1 respectively. After 800 cycles at 500 mA g−1 current density, ZCFO-3@MWCNT stays strong with a discharge capacity of 646 mAh g–1, while ZCFO-3 manages only 362 mAh g–1 and FO only 111 mAh g–1. After 1200 cycles at 500 mA g−1, the nanocomposite still delivers 518 mAh g–1. This study suggests that ZCFO-3@MWCNT could be a promising anode material for lithium-ion batteries. [ABSTRACT FROM AUTHOR]

Schiff bases are considered as privileged ligand in coordination chemistry as they easily form stable complexes with most transition metal complexes. In this paper, a novel Schiff-base ligand derived from Curcumin and Semicarbazide (HMHC) and its transition metal [Mn(II), Co(II), Ni(II), Cu(II) and Zn(II)] complexes were synthesized. FT-IR, UV–Vis, NMR, Mass, TG-DTA and ESR spectral techniques were used to confirm the structures of the metal chelates and ligand. The Schiff base behaves as a tridentate ligand with O and N donors and coordinates to metal ion via phenolic oxygens and azomethine nitrogen. The compositions of the ligand and its metal complexes have been established by elemental analysis. Spectral investigations suggested octahedral geometrical arrangement for all the metal(II) complexes, having 2:1 (L:M) stoichiometric ratio of the type [M(HMHC)2]H2O. The Schiff base ligand and its metal complexes have been screened for antimicrobial evaluation towards some clinically important microorganisms. Result found that the metal complexes were more active than the ligand. Also anti-inflammatory activity of Schiff base complexes were studied by protein denaturation method and result reveals that Zn(II) complex shows more activity.

In this study, copper oxide (Cu2O) particles were synthesized by octahedral shape and then were loaded with palladium (Pd). Photocatalysis, which was prepared by XRD, SEM/EDS, BET/BJH, TEM and DRS methods, was identified. The photocatalytic degradation of Direct Red (DR) 278 was investigated by Cu2O and, Pd-Cu2O octahedral. The photocatalytic activity of Cu2O was improved by the loaded Pd. The effect of parameters such as pH, time, mass of catalyst and concentration was evaluated by central composite design (CCD). Among the factors, pH, mass of catalyst, concentration and time have been affected the degradation process, respectively. The highest efficiency of dye degradation was obtained at optimum conditions with pH 2.95, mass of catalyst 0.11 (g), concentration 177.56 (mg/L) and time 11.02 (min), 99.99%. Based on the results, Pd-Cu2O octahedral is a very effective catalyst for the destruction of textile effluents. [ABSTRACT FROM AUTHOR]

A series of transition metal (II) complexes with general formula [M(L1−4)2(H2O)2] (where M = Co(II), Ni(II), Cu(II) and Zn(II)) was synthesized by the reaction of metal(II) acetates with hydrazones [HL1–HL4] obtained from condensation of tetralone with hydrazide derivatives. The characterization of synthesized compounds (1–20) was done by using elemental analysis, different spectral studies (UV–Vis, 1H NMR, 13C NMR, FT-IR, mass, ESR and fluorescence), magnetic susceptibility, molar conductance measurement and thermal (DTA, TGA and DTG) analysis. The characterization results suggested the bidentate nature of the hydrazones, which chelate with the metal ion via nitrogen of (C=N) group and deprotonated carbonyl oxygen in the enolized form, resulting in stable, non-volatile octahedral complexes. The antimicrobial potential of the compounds was evaluated against four bacterial, i.e. (S. aureus, B. subtilis, P. aeruginosa and E. coli), and two fungal species, i.e. (A. niger and C. albicans), by a serial dilution method with complexes 15 and 16 as most active compounds against microbes. All the compounds were also tested for its cytotoxicity (in vitro) against three human cancer cell lines (A549, HeLa and MCF-7) and one normal cell line (L6) by the MTT assay, which focussed on an increased activity of compounds 7 and 15 towards A549, MCF-7 and HeLa cancer cell line with IC50 values ranging from 10.76 to 16.42 μg/mL, and compounds were found to be non-toxic towards L6 cell line as compared to the standard drug doxorubicin. The results demonstrated that complexation enhanced the biological activity of compounds. The synthesized compounds (1–20) were screened for antitumor activities against A549, MCF7, Hela cancer cell lines. Copper complex (7) and (15) was found to be the most active antitumor agent and less toxic against L6—Rat myoblast normal cell line than standard doxorubicin. [ABSTRACT FROM AUTHOR]

Three new water soluble ternary metal complexes, [Co(metf)(en)2]Cl2(1), [Ni(metf)(en)2]Cl2(2), and [Cu(metf)(en)2]Cl2(3), (Metf = metformin, en = ethylenediamine), were synthesized and characterized, and pharmacodynamic evaluation was reported. From the spectral analysis, octahedral geometry was proposed to all the three metal complexes. The Kinetic parameters have been determined by thermogravimetric data using Coats‐Redfern method. The stability of the complexes was obtained from their molecular orbital structures from which the quantum chemical parameters were calculated using the highest occupied molecular orbital (HOMO)‐lowest unoccupied molecular orbital (LUMO) energies. The DNA binding studies of these complexes were explored by absorption, emission, and viscosity. Groove mode of surface binding of these complexes with DNA was explained by viscosity studies. Nuclease activity exhibited by these complexes on pUC19 DNA was experimented by agarose gel electrophoresis. Discovery Studio 2.1 software was used for docking studies of these complexes into B‐DNA sequence, 5′(D*AP*CP*CP*GP*AP*CP*GP*TP*CP*GP*GP*T)‐3′ retrieved from protein data bank (PDB ID: 423D). The maximum score is seen for complex 1. The antihyperglycemic activity of these complexes was studied in streptozotocin (STZ)‐diabetic rats. The substantial increase in the antihyperglycemic activity of the complexes is seen when compared with pure drug. The maximum antihyperglycemic activity is recorded for complex 1. [ABSTRACT FROM AUTHOR]

• Pt co-catalyst enhanced the Lewis acid transformation over tungsten oxide. • Lower interaction between tungsten oxide and support lead to higher hydrogen uptake. • Crystalline tungsten oxide is the preferential sites for Lewis acid transformation. • Isolated tetrahedral tungsten oxide is stable under hydrogen. The transformation of Lewis acid sites to new Bronsted acid sites under hydrogen at 40 °C and atmospheric pressure on WO 3 /SiO 2 and WO 3 /Al 2 O 3 catalysts with various tungsten oxide loading (1, 5, 9, and 12 wt%) was investigated by the in situ DRIFTS of adsorbed NH 3. The degree of Lewis acid transformation on WO 3 /SiO 2 was higher than on WO 3 /Al 2 O 3 because the weaker interaction between WO 3 and SiO 2 showed higher hydrogen accessibility as revealed by the H 2 -TPR and H 2 -TPD results. Moreover, Pt co-catalyst with supported tungsten oxide catalyst could enhance hydrogen uptake on WO 3 catalyst, leading to higher Lewis acid transformation. However, the investigation of surface WO 3 structures were observed by XRD, FT-Raman, UV–vis, and TEM to be the key point for allowing the Lewis acid transformation. After Lewis acid transformation, isolated tetrahedral WO 3 were stable whereas octahedral polytungstate and crystalline WO 3 decreased, converting to W4+ and W5+. The decreasing of crystalline WO 3 after Lewis acid transformation was also found to be correlated well with the hydrogen uptake. Therefore, Lewis acid transformation on supported WO 3 preferentially occurred on crystalline WO 3 than on octahedral polytungstate WO 3 and isolated tetrahedral WO 3 , respectively. [ABSTRACT FROM AUTHOR]

Cellular materials, especially ordered lattice structures, contain lesser quantity of material than their bulk counterparts. Only a few researches are focused on composite microlattices and their performance at high temperatures. The aim of this scientific work is to analyze the thermal and mechanical properties and corrosion resistance of stainless steel 316L micrometal lattice (MML) fabricated by selective laser sintering method and to compare the thermal properties and corrosion resistance of aluminum-chromium-nitride-coated stainless steel 316 MML with that of the uncoated MML. The coating on the fabricated MML is done by physical vapor deposition. The coated and uncoated MMLs are subjected to dilatometry, corrosion test, thermogravimetric analysis (TGA) and differential scanning calorimetry and SEM analysis, whereas the uncoated MML was subjected to tension test and compression test in addition to the above-said tests. Simulation of these MML structures is carried out to correlate the results obtained, with the real-time test results. In compression test, the MMLs withstand a higher load owing to their octahedral arrangement of struts, which aided in uniform load distribution throughout the lattice. Also, the coated samples are found to be less prone to oxidation when subjected to high temperature as the coating prevented the formation of oxide, whereas the uncoated sample oxidized at higher temperatures as indicated by a considerable mass gain in the TGA plot and from the EDS analysis, which indicates the presence of oxygen in the uncoated MML. Another key result to be noted is that the uncoated MML distorted to a greater extent than the coated MML at higher temperatures as indicated from the dilatometry tests. These findings will be of use in future design/manufacturing optimizations in aerospace and automotive industries which require lightweight and high strength materials. [ABSTRACT FROM AUTHOR]

Chemists of the late 19th century, including Alfred Werner, prepared salts containing either green or violet cations of composition [CoCl2(en)2]+ (en is ethylenediamine, C2H8N2); we now refer to these as trans‐dichloro and cis‐dichloro species. We have discovered a third salt, purple in color, containing cations of the same elemental composition and whose asymmetric unit composition is [CoCl2(en)2]2Cl2·3H2O, in which the cobalt cations are a cis:trans dichloro pair. Such a discovery would undermine Werner's argument that if only two forms can be prepared, his octahedral theory was proven. Probably because his students never examined their crystals under a microscope, they failed to observe the 'third' species, thereby ruining Werner's argument since he relied strictly on color to identify them. That was fortunate since our purple salt would have led him to abandon, or certainly delay, his momentous discovery. Our crystals consist of a 1:1 mixture of the cis and trans cations, thereby sharing the same elemental analysis and conductivity as the single salts, but not their crystal structure, inasmuch as X‐ray diffraction had not even been discovered then. Serendipitously, our discovery would have been a great boon to his theoretical acumen, while his 'two‐color' argument may have doomed him. [ABSTRACT FROM AUTHOR]

In this research paper, we delve into the influence of crystal structure, void volumes and their ionic composition along with the atomic packing factor on the radiation attenuation properties of Al-based spinel compounds. The study investigates various Al-spinel chemical compositions explores their applications in radiation shielding. Analyzing mass attenuation coefficient (MAC) of six spinel minerals across different energy regions, we observe specific trends in scattering processes with the following sequential order: MAC Pleonaste > MAC Gahnite > MAC Hercynite > MAC Galaxite > MAC Ceylonite > MAC Spinel. The results demonstrated that the MAC values were influenced by the spinel chemical composition, crystal structure, and atomic arrangement in the lattice. Furthermore, the correlation between MAC values and the tetrahedral volume (V tet), octahedral volume (V octa), and the ratio of void volumes to the unit cell volume (R) was examined. Optimal void volumes and divalent and trivalent ion compositions were determined for different spinel minerals, leading to enhanced radiation shielding efficiency. The findings offer valuable perspectives for refining and optimization of spinel materials for use in radiation applications. • Spinel group chemical composition LAC independency. • Linear relationship between lattice parameters and LAC is established. • Crystal structure modifications for improved shielding. • Role of tetrahedral and octahedral voids in optimization of radiation shielding. [ABSTRACT FROM AUTHOR]

The sand, silt, shale and clay fractions soils derived from Maastrichtian sediments in the Afikpo Basin, southeastern Nigeria exhibit unusually high cation-exchange capacities. Smectite was identified by X-ray diffraction in all sample fractions and was selectively dissolved by treatment with 1HCl and 0.5 NaOH. Structural formulae, based on chemical analysis of the dissolved material, suggest that the smectite is intermediate in composition between a di- and a trioctahedral mineral and that the octahedral cation occupancy, together with the number of Mg and Fe atoms per unit cell, decreases with decrease in particle size of the soil fraction examined. The mean formula for the smectite in the clay separate is: [(M+= 0.40, Si = 3.33, Al = 0.67), (Al = 1.07, Fe2+= 0.09, Fe3+= 0.41, Mg = 0.82)] O10(OH)2. Similar analysis of smectite present in clay-size material separate from weathered granitic rock taken from the bases of the soilprofiles showed that it had close to the full trioctahedral inherited from the weathered granites.The clay mineralogy of the soils was affected by inherited smectite, probably of hydrothermal of deuteric origin. This mineral is unstable in the soil environment and, although its alteration products are fairly uniform in composition. Keywords: Dissolution, Granitic, Octahedral, Smectite, Soil

?? ????? ?????????? (2Z)-1-benzoyl-3-(2-hydroxyphenyl)-5-phenylformazan ?? ?????? ????? ???????????? ?? ????? ?? (E)-N?-(2-hydroxybenzylidene)benzohydrazide ??? ????? ?????? ?????????? ?? ??????? ??????? ??????? ??????? ???, ???? ?????????? ?????? ???????? ???????? ??? ?????? ??? ??????? (IR) ?(1H-NMR) ?(Mass) ?????????? ??????????. ??? ????????? ?? ??????? ???? ?????? ??????? ?? ??????? ??????? ???????? ????? ????????? ???? ?????? CPE. ???? ????? ?????? ?????? ????????? ?? ????? ????? ?????????? ????? ??????? ???? ??????? ?????? HCl ?????? ??? ???? ???? ????? (D) ????? ????? ????????? ????? ???? ????? ?????????? (5*10-4) ????? ??????? 850C ???? ??????? 25min ?????? HCl 0.1M

تم تحضير الفورمازان (2Z)-1-benzoyl-3-(2-hydroxyphenyl)-5-phenylformazan من ازدواج املاح الدايازونيوم مع قاعدة شف (E)-N′-(2-hydroxybenzylidene)benzohydrazide وتم تحضير معقدات الفورمازان من التفاعل المباشر للاملاح الفلزية معة, وشخص الفورمازان المحضر ومعقداته باستخدام طيف الاشعة تحت الحمراء (IR) و(1H-NMR) و(Mass) والتوصيلية الكهربائية. وتم استخدامها في استخلاص ايون الكروم الرباعي من محاليلة المائية باستخدام طريقة الاستخلاص نقطة الغيمة CPE. وتمت دراسة الظروف المثلى للاستخلاص من تاثير تركيز الفورمازان ودرجة الحرارة وزمن التسخين وتركيز HCl للوصول الى افضل نسبة توزيع (D) ونسبة مئوية للاستخلاص عندما يكون تركيز الفورمازان (5*10-4) ودرجة الحرارة 850C وزمن التسخين 25min وتركيز HCl 0.1M

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New Mixed ligand complexes of Cu (II)then Ni (II) with L1 (1-benzyl 2,3-dialkyl -4-4'chloro Salicylaldene) pyrazole-5-one),(L2) 2-[ (2-Benzothiazolyl) -4-methoxy phenol ],(L3) 1,5-dimethyl-4-((4-methyl-1H-imidazol-2-yl)diazenyl)-2-benzyl-1,2-dihydro-3H-pyrazol-3-one and L5 (1,10,phen) have been synthesized These ion chelates complexes have been brandedwithprimarystudy,IR,1H-NMR,UV-Vis, Molar conductivities, Attractive moments, Spectral data exhibited the(L1,L2) actions as mono anionic tridentate ligand coordinating to the metal ion through(O,N,O),(N,N,O)donor atoms, imine ligand (L4) as monoanionic bidentate coordinating through(O,N)donor atoms,(L3)acts as impartial tridentate ligand coordinating to the metal ion through(N,N,O)and (1,10,phen) acts as neutral didentate ligand coordination from through (N, N). Cu(II) and Ni(II) complexes perform to have an octahedral geometry. Bio-effect studies of the ligand besides to its metal complexes alongside numerous bacteria s.aureus, Escherichia coli, klebsiella pneumonia, Aspergillus.n, Aspergillus. f, Rhizoctoniabataicola and Trichoderma, are stated. Compounds gave the high result of bustle. [ABSTRACT FROM AUTHOR]

Facile one pot synthesis of a series of seven tetraamide macrocyclic complexes of first row transition metal ions such as Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) is carried out using malonyldihydrazide and p-nitrobenzaldehyde at room temperature using template method. The characterization and structure determination of synthesized complexes was carried out using various analytical techniques such as melting point determination, IR, UV/Visible, 1H NMR, Mass spectra, magnetic susceptibility and molar conductance measurements. The results obtained indicated towards the presence of an octahedral geometry of the complexes. The synthesized complexes were screened for their antibacterial activities. [ABSTRACT FROM AUTHOR]

The sand, silt, shale and clay fractions soils derived from Maastrichtian sediments in the Afikpo Basin, southeastern Nigeria exhibit unusually high cation-exchange capacities. Smectite was identified by X-ray diffraction in all sample fractions and was selectively dissolved by treatment with 1HCl and 0.5 NaOH. Structural formulae, based on chemical analysis of the dissolved material, suggest that the smectite is intermediate in composition between a di- and a trioctahedral mineral and that the octahedral cation occupancy, together with the number of Mg and Fe atoms per unit cell, decreases with decrease in particle size of the soil fraction examined. The mean formula for the smectite in the clay separate is: [(M+= 0.40, Si = 3.33, Al = 0.67), (Al = 1.07, Fe2+= 0.09, Fe3+= 0.41, Mg = 0.82)]O10(OH)2. Similar analysis of smectite present in clay-size material separate from weathered granitic rock taken from the bases of the soilprofiles showed that it had close to the full trioctahedral inherited from the weathered granites.The clay mineralogy of the soils was affected by inherited smectite, probably of hydrothermal of deuteric origin. This mineral is unstable in the soil environment and, although its alteration products are fairly uniform in composition. [ABSTRACT FROM AUTHOR]

Solid state reaction synthesis was employed for the production of triclinic zinc molybdate (α-ZnMoO 4) crystal. X-ray diffraction (XRD) pattern, Rietveld refinement analysis, Fourier-transform infrared (FT-IR) and Fourier-transform Raman (FT-Raman) spectroscopy confirmed that α-ZnMoO 4 exhibit a triclinic structure without evidence of any impurity phase. FT-IR spectroscopy gives information about vibrational features of Mo–O in the [MoO 4 ] clusters. The 13 active vibrational modes were observed in Raman spectra from 100 to 1000 cm−1. UV–Vis absorption spectroscopy was used for calculation of optical band gap. The band gap (E g) of 4.12 eV was observed for a direct allowed transition. The photoluminescence (PL) spectrum of α-ZnMoO 4 gives intense green emission. Microwave dielectric constant ( ε r ), temperature coefficient at the resonant frequency ( τ f ) and Q x f value were measured by Hakki-Coleman method and found to be 8.05, −121.81 p p m / o C and 48320 GHz respectively. These results suggested the applications of ZnMoO 4 in LEDs, scintillating detectors and microwave device. • Synthesis of triclinic α- ZnMoO 4 by using a solid state reaction method. • Confirmation of single phase (triclinic) formation using Rietveld refinement, XRD data, FT-IR and Raman spectra. • Investigation of optical properties using UV–Vis and photoluminescence spectroscopy. • Investigation of microwave dielectric property using Hakki-Coleman technique. [ABSTRACT FROM AUTHOR]

Abstract Octahedral CuWO 4 microstructurals were successfully obtained via a simple self-assembly solvothermal synthesis pathway for the first time. The effect of organic solvents on the morphology of copper tungstate (CuWO 4) was systematically investigated here. In addition, some other parameters, such as the reaction time, sodium salts and a possible mechanism for the formation of CuWO 4 with varied morphologies were discussed. We succeed in fabricating and characterizing an octahedral CuWO 4 and the results demonstrate that the amount of ethylene glycol (EG) and Cl− plays a critical effect on the formation of unique morphology of CuWO 4. According to our investigation, samples obtained show better photocatalytic activity toward the degradation of RhB. Our research provides some new perspective of the morphology control of CuWO 4 and is conducive to understand the relationship between the morphology of other wolframite-type microcrystals and their properties. Highlights • The 3D polyhedral CuWO 4 microstructurals are obtained via a simple self-assembly solvothermal synthesis pathway. • A reasonable formation mechanism of octahedron CuWO 4 is proposed. • The unique octahedron CuWO 4 microstructural reveals good photocatalysis properties. [ABSTRACT FROM AUTHOR]

Geometric and topologic analysis was carried out for metal oxides Cs11O3-mP56, Rb(Cs11O3)-oP30, Cs(Cs11O3)-oP60, Rb3(Rb4)(Cs11O3)-oP84, (Cs4)(Cs6)(Cs11O3)-hP24, Rb9O2-mP22, (Rb3)(Rb9O2)-hP28, and (Rb2O)3(Rb13)-cF176, which are formed from oxygen-containing metal melts. Special algorithms of partitioning structural graphs into cluster structures (the TOPOS program package) were used to identify the precursor clusters of crystal structures. The precursor clusters participating in crystal structure self-assembly were identified to be three-octahedral Cs11O3, two-octahedral Rb9O2, octahedral Cs6, tetrahedral Cs4 and Rb4, and icosahedral Rb13. The symmetry and topology code of crystal structure self-assembly from precursor clusters was reconstituted as: primary chain → microlayer → microframework. The Cs11O3 and Rb9O2 crystal structures were found to be self-assembled from three-octahedral clusters Cs11O3 and two-octahedral clusters Rb9O2, respectively. The Rb(Cs11O3) and Cs(Cs11O3) framework structures are assembled from clusters Cs11O3 and accommodate Rb and Cs atoms in their voids. The Rb3(Rb4)(Cs11O3) framework structure is assembled from clusters Cs11O3 and Rb4 and accommodates Rb atoms in its voids. The (Cs6)(Cs4)(Cs11O3) framework structure is self-assembled from clusters Cs11O3, Cs6, and Cs4. The Rb3(Rb9O2)-hP28 framework structure is assembled from clusters Rb9O2 and atoms Rb; the (Rb2O)3(Rb13) framework structure is assembled from icosahedra Rb13 and clusters Rb2O. [ABSTRACT FROM AUTHOR]

Graphical abstract Abstract In this work, we derive expansion formulas up to arbitrary order in vibrational coordinates for the tetrahedral and octahedral vibronic Hamiltonians that involve A -type states and a -type vibrations. The root-branch approach and modularized approach enable us to derive vibronic Hamiltonians including up to two vibrational modes for 5 problems in T symmetry and 92 problems in T d symmetry within one paper. These formulas can be easily adapted to problems of T h , O , and O h symmetries. Finishing this work, we have derived general vibronic Hamiltonians for all unimodal and bimodal Jahn-Teller and pseudo-Jahn-Teller problems of cubic group systems. These bimodal formulas can be extended to cover problems that involve more than two modes. [ABSTRACT FROM AUTHOR]

Graphical abstract Octahedral-typed Fe 3 O 4 nanoparticles were used as the additive onto CI based MR suspensions, and then their magnetorheological characteristics and sedimentation stability with and without additive were investigated. Abstract To enhance suspension stability and magnetorheological (MR) effect of carbonyl iron (CI)-based MR fluids, octahedral-shaped magnetite particles were synthesized by a hydrothermal method in an autoclave and then adopted as an additive for soft-magnetic CI-based MR suspensions. Two different MR suspensions comprised of the same CI particles with a 70% weight fraction were prepared; one contained an additional 1 wt% octahedral magnetite according to the carrier fluid weight. The MR characteristics of the two MR suspensions with and without the octahedral-typed magnetite nanoparticles were tested using a rotation-typed rheometer attached with a magnetic field strength generator. The sedimentation profile of the MR suspension with and without the additive was also analyzed. The shear viscosity, shear stress, yield stress, and storage modulus from rheological tests were enhanced by the magnetic additive. [ABSTRACT FROM AUTHOR]

Abstract On the basis of research on the effect of reaction conditions on nanocrystal morphology and performance, the preparation process of octahedral catalyst is optimized, and the PtNi/C octahedral nanocrystal catalyst with well-defined structure and enhanced performance is prepared by a one-pot solvothermal method using benzoic acid as structure directing agent. In rotating disk electrode test, its mass activity and specific activity reach 4.7 and 6.6 times of the commercial Pt/C catalyst, and its stability is also higher after accelerated durability testing. In order to fill the research blank on single cell application of octahedral catalyst, membrane electrode assembly is fabricated using this PtNi/C octahedral catalyst in cathode. Compared with the control, although a lower Pt loading is employed, its cell voltage at 1000 mA cm−2 and maximum power density are increased by 27 mV and 132.8 mW cm−2, respectively, demonstrating that PtNi/C octahedral catalyst exhibits actual application potential in proton exchange membrane fuel cells. After further regulating composition and structure of alloy nanocrystals, optimizing preparation process of membrane electrode assembly and investigating the durability of single cell and stack under dynamic driving cycle conditions, Pt-based octahedral catalysts are expected to replace the conventional Pt/C catalyst. Graphical abstract Image 1 Highlights • PtNi/C octahedrals were prepared with benzoic acid as structure directing agent. • Effect of reaction conditions on octahedral morphology was investigated. • PtNi/C octahedral catalyst exhibits higher ORR performance than Pt/C (JM). • MEA fabricated using this octahedral catalyst shows enhanced cell performance. [ABSTRACT FROM AUTHOR]

Zone-centre phonon frequencies, elastic properties and sound velocities along high-symmetry directions and Debye temperature of MgTi2O4 spinel is calculated using rigid ion model. The interatomic interactions up to third nearest neighbours are also calculated. The main results of the present paper reveals that the tetrahedral bonding is stronger than the octahedral bonding. Calculated results are compared with previously available experimental and theoretical data. It is observed that the obtained results are in good agreement with the available results in literature. [ABSTRACT FROM AUTHOR]

Three new adducts have been synthesized and studied by infrared and NMR spectroscopies. The suggested structures are discrete with a pyridine -3- sulfonate acting as a tri O-chelating and N-donor or as a non σ coordinating ligand, a 4-aminobenzenesulfonate behaving as a monodentate O-donor, the environments around the tin centre being tetrahedral, octahedral or seven coordinated. In all the studied compounds, supramolecular architectures are obtained when hydrogen bonds are considered.

The proposed structures for the studied adducts - DABCO.3[NiCl2·2H2O].EtOH and 2DABCO.3CuCl2.4EtOH or 3DABCO. 4CuCl2.5EtOH are discrete with two or three metallic components, the environments around the Nickel centres being octahedral or square planar, while being octahedral , linear or a square based prism around the Copper centres, the DABCO behaving as a monodentate or bridging bidentate ligand or being lattice. Extra intermolecular interactions via hydrogen bonds when considered, may lead to supramolecular architectures.

When the diphenic acid HO2CC6H4C6H4CO2H is allowed to react with SnBu2Cl2 or SnPh3OH, HO2CC6H4C6H4CO2. SnBu2Cl (A) and O2CC6H4C6H4CO2(SnPh3)2∙4H2O(B) were obtained and characterized by infrared spectroscopy. The structures are an infinite chain or an oligomer, the diphenic anion being a monodentate or a monochelating ligand. The environment around the tin centers is trigonal bipyramidal or octahedral.