Structural, electronic and elastic properties of MAX phases M2GaN (M = Ti, V and Cr)

Based on first-principles total energy calculations, we have investigated the systematic trends for structural, electronic and elastic properties of the MAX phases M₂GaN depending on the type of M transition metal (M are Ti, V and Cr). The optimized zero pressure geometrical parameters: the two unit cell lengths (a, c), the internal coordinate z and the bulk modulus are calculated. The results for the lattice constants are in agreement with the available experimental data. The band structures show that all studied materials are electrical conductors. The analysis of the site-projected l-decomposed density of states shows that bonding is due to M d-N p and M d-Ga p hybridizations. The elastic constants are calculated using the static finite strain technique. The shear modulus C₄₄, which is directly related to the hardness, reaches its maximum when the valence electron concentration is in the range 10.5–11.0. The isotropic elastic moduli, namely, bulk modulus (B), shear modulus (G), Young's modulus (E) and Poisson's ratio (σ) are calculated in framework of the Voigt–Reuss–Hill approximation for ideal polycrystalline M₂GaN aggregates. We estimated the Debye temperature of M₂GaN from the average sound velocity. This is the first quantitative theoretical prediction of the electronic structures, and elastic constants and related properties for Ti₂GaN, V₂GaN and Cr₂GaN compounds that require experimental confirmation.     

Spectroscopic evaluation of Co(II), Ni(II) and Cu(II) complexes derived from thiosemicarbazone and semicarbazone

Co(II), Ni(II) and Cu(II) complexes were synthesized with thiosemicarbazone (L(1)) and semicarbazone (L(2)) derived from 2-acetyl furan. These complexes were characterized by elemental analysis, molar conductance, magnetic moment, mass, IR, electronic and EPR spectral studies. The molar conductance measurement of the complexes in DMSO corresponds to non-electrolytic nature. All the complexes are of high-spin type. On the basis of different spectral studies six coordinated geometry may be assigned for all the complexes except Co(L)(2)(SO(4)) and Cu(L)(2)(SO(4)) [where L=L(1) and L(2)] which are of five coordinated square pyramidal geometry.     

Theoretical study of the structural,elastic, electronic and optical properties of XCaF3 (X = K and Rb)

The PLANE WAVE pseudo-potential method within density functional theory (DFT) has been used to investigate the structural, elastic, electronic and optical properties of XCaF₃ (X = K and Rb) insulating. The studied compounds show a weak resistance to shear deformation compared to the resistance to the unidirectional compression. KCaF₃ and RbCaF₃ are considered ductile. The elastic constants and related parameters were predicted. The stiffness is more important in KCaF₃, whereas, the lateral expansion is more important in RbCaF₃. KCaF₃ and RbCaF₃ have R- Г indirect band gap. The main peaks in the imaginary part of the dielectric function correspond to the transition from the occupied state F₋p to the unoccupied states Ca: s or K, Rb: p. At lower energies, KCaF₃ and RbCaF₃ show the same optical properties. Under pressure effect, the peaks of imaginary part of dielectric function were shifted toward high energy.     

Structural, electronic properties and inter-atomic bonding in layered chalcogenide oxides LaMChO (where M = Cu, Ag, and Ch = S, Se) from FLAPW-GGA calculations

Using the first principles FLAPW-GGA method, comparative study of structural, electronic properties and of chemical bonding in four 1111-like chalcogenide oxides LaMChO (LaCuSO, LaCuSeO, LaAgSO, and LaAgSeO) with ZrCuSiAs-type structure was performed. Our studies showed that: (i) replacements of d metal atoms (Cu ↔ Ag) and chalcogen atoms (S ↔ Se) lead to anisotropic deformations of the crystal structure; this effect is related to strong anisotropy of inter-atomic bonds; (ii) all of the examined chalcogenide oxides are semiconducting; the band gap decreases both at S → Se and Cu → Ag substitutions; and (iii) the bonding in LaMChO phases can be classified as a high-anisotropic mixture of ionic and covalent contributions, where mixed covalent-ionic bonds take place inside [La₂O₂] and [M₂Ch₂] blocks, whereas between the adjacent [La₂O₂]/[M₂Ch₂] blocks, ionic bonds emerge owing to [La₂O₂] → [M₂Ch₂] charge transfer. Since the near-Fermi bands of LaMChO phases originate mainly from electronic states of [M₂Ch₂] blocks, we speculate that chemical substitutions inside these blocks can result in striking differences in electronic properties of these systems; therefore, this approach can be promising for significant enlargement of the functional properties of these materials.     

Synthesis and characterization of a new pyrrolidine containing sulfur ligand and the transition metal complexes of Co(II), Ni(II) and Cu(I)

Potassium 1,3-dipyrrolidinopropan-2-O-xanthate (LK), and its complexes with Co(II), Ni(II) and Cu(I) have been prepared and characterized as [CoL₂(H₂O)₂]?·?2H₂O, [NiL₂(H₂O)₂] and CuL?·?2H₂O by FT-IR, ¹H and ¹³C NMR spectroscopies, elemental analyses, magnetic susceptibility and TGA techniques.     

Synthesis and characterization of Cu(II), Co(II) and Ni(II) coordination polymers containing bis(imidazolyl) ligands

Two structurally related flexible imidazolyl ligands, bis(N-imidazolyl)methane (L₁) and 1,4-bis(N-imidazolyl)butane (L₂), were reacted with Cu(II), Co(II) and Ni(II) salts of aliphatic/aromatic dicarboxylic acids resulting in the formation of a number of novel metal–organic coordination architectures, [CuB₂(ox)₂(L₁)₂(H₂O)₂] · 4H₂O (1) (ox = oxalate), [Cu(pdc)(L₂)_1.5] · 4H₂O (2, pdc = pyridine-2,6-dicarboxylate), [Co(L)₂(H₂O)₂](tp) · 4H₂O (3, tp = terephthalate), [Ni(L₁)₂(H₂O)₂](ip) · 5H₂O (4, ip = isophthalate), [Cu₂(L₁)₄(H₂O)₄](tp)₂ · 7H₂O (5), [Co(mal)(L₁)(H₂O)] · 0.5MeOH (6, mal = malonate), [Co(pdc)(L₁)(H₂O)] (7). All the complexes have been structurally characterized by X-ray diffraction analysis. The different coordination modes of the dicarboxylate anions, due to their chain length, rigidity and diimidazolyl functionality, lead to a wide range of different coordination structures. The coordination polymers exhibit 1D single chain, ladder, 2D sheet and 2D network structures. The aliphatic and aromatic dicarboxylates can adopt chelating μ₂ and chelating-bridging μ₃ coordination modes, or act as uncoordinated counter anions. The central metal ions are coordinated in N₂O₄, N₄O₂, N₂O₃ and N₃O₃ fashions, depending on the ancillary ligands. The topology of 1 gives rise to macrocycles which are connected through hydrogen bonds to form 1D chains, whereas compound 2 exhibits a 1D polymeric ladder in which the carboxylate acts as a pincer ligand. Compounds 3–5 show doubly bridged 1D chains, and the dicarboxylate groups are not coordinated but form 2D corrugated sheets with water molecules intercalated between the cationic layers. Compound 6 has a 2D network sheet structure in which each metal ion links three neighboring Co atoms by the bis(N-imidazolyl)methane ligand. The cobalt compound 7, with a 2D polymeric double sheet structure, is built from pincer carboxylate (pdc) and 1,4-bis(N-imidazolyl)methane ligands.     

Simultaneous kinetic spectrophotometric determination of Cu(II), Co(II) and Ni(II) using partial least squares (PLS) regression

A partial least squares (PLS-1) calibration model based on kinetic—spectrophotometric measurement, for the simultaneous determination of Cu(II), Ni(II) and Co(II) ions is described. The method was based on the difference in the rate of the reaction between Co(II), Ni(II) and Cu(II) ions with 1-(2-pyridylazo)2-naphthol in a pH 5.8 buffer solution and in micellar media at 25°C. The absorption kinetic profiles of the solutions were monitored by measuring the absorbance at 570 nm at 2 s intervals during the time range of 0–10 min after initiation of the reaction. The experimental calibration matrix for the partial least squares (PLS-1) model was designed with 30 samples. The cross-validation method was used for selecting the number of factors. The results showed that simultaneous determination could be performed in the range 0.1-2 μg mL⁻¹ for each cation. The proposed method was successfully applied to the simultaneous determination of Cu(II), Ni(II) and Co(II) ions in water and in synthetic alloy samples.      

Synthesis and characterization of potassium 1,3-bis(N-methylpiperazino)propan-2-O-xanthate and the complexes of Co(II), Ni(II) and Cu(I) ions

Potassium 1,3-bis(N-methyl piperazino)propan-2-O-xanthate (LK), and its complexes with Co(II), Ni(II) and Cu(I) ions have been prepared and characterized as [CoL₂(H₂O)₂], [NiL₂(H₂O)₂]·2H₂O and CuL·2H₂O by FT-IR, ¹H and ¹³C?NMR spectroscopies, elemental analyses, magnetic susceptibility and TGA techniques.     

Modification in structural,optical, morphological,and electrical properties of zinc oxide (ZnO) nanoparticles (NPs) by metal (Ni,Co) dopants for electronic device applications

In the present work, Zinc Oxide (ZnO) nanoparticles (NPs) were synthesized by the chemical co-precipitation method using Zinc Chloride as the initial chemical, while Nickel and Cobalt chloride as dopants. Phase identification of metal (Ni, Co) doped Zinc Oxide nanoparticles (NPs) was observed using x-ray diffraction (XRD). The small lattice distortion or phase changes appeared due to shifting of diffraction angles peaks towards larger angle in ZnO are corresponded to metal (Ni, Co) dopant. The average crystallite size appears to decrement in NP size from 7.67 nm to 6.52 nm and 5.35 nm to 5.17 nm with increasing 5 % to 80 % of metal (Ni, Co) dopant respectively. The optical characteristics, including the absorption spectra of the prepared sample were observed through UV–Vis spectroscopy, Meanwhile SEM confirmed the observation of composition change in specimen with metal (Ni, Co) dopant concentration. The bandgap value was also found decrement 5.23 eV to 5.05 eV with increment of metal (Ni, Co) dopant concentration. The functional groups were measured by Fourier transformation infrared spectroscopy (FTIR). FTIR peaks found the metal (Ni, Co) doped ZnO with the vibration mode of (Zn²⁺ –O^2?) ions due to the increment of dopant concentrations. Furthermore, electrical results show the ohmic behavior of prepared samples. These findings indicate the possibility of tuning optical, structural and electrical properties of metal (Ni, Co) doped ZnO with various dopant concentrations of Nickel and will have great potential to find application in optoelectronic devices.     

Effect of ancillary ligands on the electronic structures, DNA-binding and spectral properties of [Co(L)2(pip)] (L = phen, bpy, en, tap)

Studies on the electronic structures and related properties of a series of Co(Ш) complexes have been carried out, using the density functional theory (DFT) at the B3LYP/LanL2DZ level. The effect of the ancillary ligands on their electronic structures, DNA-binding affinities and spectra was revealed. The results show that an ancillary ligand has quite important effect on electronic structures and DNA-binding properties of these Co(Ш) complexes. The ancillary ligand possessing a great conjugated structure can effectively improve the DNA-binding affinity of the complex. Meanwhile, introducing a stronger electronegative N atom on the skeleton of ancillary ligand can obviously reduce the LUMO energy of the complex. Based on these findings, a designed complex 4 can be expected to have the greatest K_b value in complexes 1–4. So it may be able to control the interaction between the complex and DNA-base-pairs via varying ancillary ligands. In addition, the electronic absorption spectra of these complexes were calculated and simulated in aqueous solution using the time-dependent DFT (TDDFT) method and the effect of the ancillary ligands on the spectra was also explored. The calculated absorption spectra of these complexes in aqueous solution are in a satisfying agreement with the experimental results, and the properties of experimental absorption bands were theoretically explained in detail.     

Thermal, spectral and magnetic characterization of Co(II), Ni(II) AND Cu(II) 4-chloro-2-nitrobenzoates

Physico-chemical properties of 4-chloro-2-nitrobenzoates of Co(II), Ni(II), and Cu(II) were studied. The complexes were obtained as mono- and trihydrates with a metal ion to ligand ratio of 1:2. All analysed 4-chloro-2-nitrobenzoates are polycrystalline compounds with colours depending on the central ions: pink for Co(II), green for Ni(II), and blue for Cu(II) complexes. Their thermal decomposition was studied only in the range of 293–523 K, because it was found that on heating in air above 523 K 4-chloro-2-nitrobenzoates decompose explosively. Hydrated complexes lose crystallization water molecules in one step and anhydrous compounds are formed. The final products of their decomposition are the oxides of the respective transition metals. From the results it appears that during dehydration process no transformation of nitro group to nitrite takes place. The solubilities of analysed complexes in water at 293 K are of the order of 10^–4–10^–2 mol dm^–3. The magnetic moment values of Co²⁺, Ni²⁺ and Cu²⁺ ions in 4-chloro-2-nitrobenzoates experimentally determined at 76–303 K change from 3.89 to 4.82 μ_B for Co(II) complex, from 2.25 to 2.98 μ_B for Ni(II) 4-chloro-2-nitrobenzoate, and from 0.27 to 1.44 μ_B for Cu(II) complex. 4-chloro-2-nitrobenzoates of Co(II), and Ni(II) follow the Curie–Weiss law. Complex of Cu(II) forms dimer.     

A bonding study of cyclopentene (c-C5H8) adsorption on Ni(1 1 1) surface

The adsorption of cyclopentene (c-C₅H₈) on Ni(1 1 1) was studied using DFT and semiempirical calculations. Preferred site and geometry calculations were carried out considering a Ni(1 1 1) surface and a unit cell of 64-atoms. The tetrahedral threefold hollow position was identified as the most favorable site, with a surface-molecule minimum distance of 1.83 Å. A bending structure is adopted when the molecule is adsorbed where the carbon atoms of the double bond are closer to the surface forming an angle of 160° among non-equivalents carbon atoms. The metal surface was represented by a two-dimensional slab with an overlayer of c-C₅H₈/Ni of 1/9 ratio. We also computed the density of states (DOS) and the crystal orbital overlap populations (COOP) corresponding to CC, CNi, CH, and NiNi bonds. We found that both NiNi bonds interacting with the ring, and the CC bond are weakened after adsorption, this last bond is linked significantly to the surface. The hydrogen atoms belonging to the saturated carbon atoms also participate in the adsorbate–surface bonding. The main interactions include the 4s, 3p_z and 5d_z² bands of nickel and 2p_z bands of the carbon atoms of the double bond.     

Coordination compounds of Co(II), Ni(II) and Cu(II) with capric acid hydrazide

The reaction of aquo-ethanolic solutions of Co(II), Ni(II) and Cu(II) salts and ethanolic solution of capric acid hydrazide (L) yielded paramagnetic, high-spin bis- and tris(ligand) chelate complexes. The tris(ligand) complexes, [ML ₃]X ₂·nH₂O [M=Co(II), Ni(II);X=NO ₃ ^– , ClO ₄ ^– , 1/2SO ₄ ^2– ], have an octahedral structure formed on account of the bidentate (NO) coordination of three neutral hydrazide molecules. In the bis(ligand) complexes,ML ₂(NCS)₂ [M=Co(II), Ni(II)] and CuL ₂ X ₂·nH₂O (X=NO ₃ ^– , ClO ₄ ^– and 1/2SO ₄ ^2– ), the oxoanions and NCS^– take also part in coordination. The complexes have been characterized by elemental analysis, IR spectra, magnetic measurements, molar conductivity and TG analysis.

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Caprinsäurehydrazid-Komplexe von Co(II), Ni(II) und Cu(II)

Zusammenfassung Durch die Reaktion von wäßrig-ethanolischen Lösungen von Co(II)-, Ni(II)-und Cu(II)-Salzen mit einer ethanolischen Lösung von Caprinsäurehydrazid (L) wurden paramagnetische high-spin Bis- und Tris-Ligand-Chelatkomplexe erhalten. Tris-Ligand-Komplexe des Typs [ML ₃ X ₂·nH₂O [M=Co(II), Ni(II);X=NO ₃ ^– , ClO ₄ ^– , 1/2SO ₄ ^2– ], die eine oktaedrische Struktur besitzen, entstehen durch die Koordination von drei neutralen zweizähnigen (NO)-Hydrazidmolekülen. Bei den Bis-Ligand-KomplexenML ₂(NCS)₂ [M=Co(II), Ni(II)], sowie bei den Bis-Ligand-Komplexen CuL ₂ X ₂·nH₂O (X=NO ₃ ^– , ClO ₄ ^– , 1/2SO ₄ ^2– ) nehmen bei der Koordination außer Hydrazid auch die Säurereste teil. Die Komplexe wurden durch Elementaranalyse, IR-Spektren, magnetische Messungen, molare Leitfähigkeit und TG-Analysen charakterisiert.

     

Bioactive Co(II), Ni(II), and Cu(II) Complexes Containing a Tridentate Sulfathiazole-Based (ONN) Schiff Base

New Co(II), Ni(II), and Cu(II) complexes were synthesized with the Schiff base ligand obtained by the condensation of sulfathiazole with salicylaldehyde. Their characterization was performed by elemental analysis, molar conductance, spectroscopic techniques (IR, diffuse reflectance and UV–Vis–NIR), magnetic moments, thermal analysis, and calorimetry (thermogravimetry/derivative thermogravimetry/differential scanning calorimetry), while their morphological and crystal systems were explained on the basis of powder X-ray diffraction results. The IR data indicated that the Schiff base ligand is tridentate coordinated to the metallic ion with two N atoms from azomethine group and thiazole ring and one O atom from phenolic group. The composition of the complexes was found to be of the [ML₂]∙nH₂O (M = Co, n = 1.5 (1); M = Ni, n = 1 (2); M = Cu, n = 4.5 (3)) type, having an octahedral geometry for the Co(II) and Ni(II) complexes and a tetragonally distorted octahedral geometry for the Cu(II) complex. The presence of lattice water molecules was confirmed by thermal analysis. XRD analysis evidenced the polycrystalline nature of the powders, with a monoclinic structure. The unit cell volume of the complexes was found to increase in the order of (2) < (1) < (3). SEM evidenced hard agglomerates with micrometric-range sizes for all the investigated samples (ligand and complexes). EDS analysis showed that the N:S and N:M atomic ratios were close to the theoretical ones (1.5 and 6.0, respectively). The geometric and electronic structures of the Schiff base ligand 4-((2-hydroxybenzylidene) amino)-N-(thiazol-2-yl) benzenesulfonamide (HL) was computationally investigated by the density functional theory (DFT) method. The predictive molecular properties of the chemical reactivity of the HL and Cu(II) complex were determined by a DFT calculation. The Schiff base and its metal complexes were tested against some bacterial strains (Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, and Bacillus subtilis). The results indicated that the antibacterial activity of all metal complexes is better than that of the Schiff base.     

Structural,mechanical, electronic,optical properties and effective masses of CuMO2 (M = Sc,Y, La) compounds: First-principles calculations

The structural, elastic, mechanical, electronic, optical properties and effective masses of CuM_IIIBO₂ (M_IIIB = Sc, Y, La) compounds have been investigated by the plane-wave ultrasoft pseudopotential technique based on the first-principles density-functional theory under local density approximation. The equilibrium structural parameters are in good agreement with previous experimental and theoretical data. To our knowledge, there are no available data of elastic constants for comparison. The bulk, shear and Young's modulus, ratio of B/G, Poisson's ratio and Lamé's constants of CuM_IIIBO₂ have been studied. The electronic structures of CuM_IIIBO₂ are consistent with other calculations. The population analysis, charge densities and effective masses have been shown and analyzed. The imaginary and real parts of the dielectric function, refractive index and extinction coefficient of CuM_IIIBO₂ are calculated. The interband transitions to absorption of CuM_IIIBO₂ have been analyzed.     

Thermal, spectral and magnetic behaviour of 2,3,4-trimethoxybenzoates of Mn(II), Co(II), Ni(II) AND Cu(II)

Four new complexes of 2,3,4-trimethoxybenzoic acid anion with manganese(II), cobalt(II), nickel(II) and copper(II) cations were synthesized, analysed and characterized by standard chemical and physical methods. 2,3,4-Trimethoxybenzoates of Mn(II), Co(II), Ni(II) and Cu(II) are polycrystalline compounds with colours typical for M(II) ions. The carboxylate group in the anhydrous complexes of Mn(II), Co(II) and Ni(II) is monodentate and in that of Cu(II) monohydrate is bidentate bridging one. The anhydrous complexes of Mn(II), Co(II) and Ni(II) heated in air to 1273 K are stable up to 505–517 K. Next in the range of 505–1205 K they decompose to the following oxides: Mn₃O₄, CoO, NiO. The complex of Cu(II) is stable up to 390 K, and next in the range of 390–443 K it loses one molecule of water. The final product of its decomposition is CuO. The solubility in water at 293 K is of the order of 10^–3 mol dm^–3 for the Mn(II) complex and 10^–4 mol dm^–3 for Co(II), Ni(II) and Cu(II) complexes. The magnetic moment values of Mn²⁺, Co²⁺, Ni²⁺ and Cu²⁺ ions in 2,3,4-trimethoxybenzoates experimentally determined in the range of 77–300 K change from 5.64–6.57 μB (for Mn²⁺), 4.73–5.17 μB (for Co²⁺), 3.26–3.35 μB (for Ni²⁺) and 0.27–1.42 μB (for Cu²⁺). 2,3,4-Trimethoxybenzoates of Mn(II), Co(II) and Ni(II) follow the Curie–Weiss law, whereas that of Cu(II) forms a dimer.     

Density-functional calculations of MnC(M = Fe, Co, Ni, Cu, n = 1–6) clusters

The structural, energetic and magnetic properties of M_nC(M = Fe, Co, Ni, Cu, n = 1–6) clusters are systematically investigated by density-functional calculations. We found that the ground-state geometrical structures of M_nC clusters are different from those of pure M_n+1 clusters. Fe₄C, Ni₂C and Cu₄C possess relatively higher stabilities. Doping of a C atom enhances the binding energy of M_n clusters, and the binding energies of Fe_n-C, Co_n-C and Ni_n-C are stronger than that of Cu_n-C.     

Polyol-mediated low-temperature synthesis of crystalline tungstate nanoparticles MWO4 (M = Mn,Fe, Co,Ni, Cu,Zn)

A polyol-mediated synthesis is presented as a general access to nanoscaled transition-metal tungstates MWO₄ (M = Mn, Fe, Co, Ni, Cu, Zn). Using simple inorganic salts as starting materials, uniform and readily crystalline nanoparticles are prepared under mild conditions (T < 220 °C). The nanoparticles are of high quality in terms of small diameter (<20 nm), high surface area (up to 200 m² g⁻¹), phase purity and yield (>85%). Size, morphology and composition can be adjusted by precise variation of the reaction parameters, including type of starting material, duration and temperature of reaction. The transition-metal tungstate nanoparticles are fully functional, exhibiting typical properties of this class of materials, for instance, superparamagnetism (CoWO₄), luminescence (ZnWO₄) and photocatalytic activity (CuWO₄).     

Syntheses, structural characterizations and properties of 12-MC-4 organotin(IV) metallacrowns: [12-MCRSn(IV)N(shi)-4] and [12-MCRSn(IV)N(Clshi)-4] (R = Et, Bu, Ph; H3shi = salicylhydroxamic acid; H3Clshi = 5-chlorosalicylhydroxamic acid)

Five 12-MC-4 organotin(IV) metallacrowns(MCs) with the types of [12-MC_{RSn(IV)N(shi)}-4] (R = Et (1), Bu (2), Ph (3); H₃Shi = salicylhydroxamic acid) and [12-MC_{RSn(IV)N(Clshi)}-4] (R = Et (4), Bu (5), H₃Clshi = 5-chlorosalicylhydroxamic acid) have been synthesized and characterized by elemental analyses, IR and TGA. X-ray single-crystal diffraction analyses were also carried out and showed that all complexes 1-5 contain a neutral 12-membered metallacrown ring which is formed by the succession of four repeating units of -[Sn-N-O]-, indicating the substituents on the tin(IV) atom are uninfluential in coordination of organotin(IV) centers with hydroxamic acid. Fluorescence properties of complexes 1-5 have been investigated, where complex 3 displays strong fluorescence emissions in the blue region. In addition, antitumor activities of complexes 4 and 5 have also been tested, and both the complexes exhibit weak activity towards human hepatocellular carcinoma cell line (Bel-7402) and Hela cell line.     

Synthesis of organosilyl compounds-containing 1,2,4,5-tetraaryl imidazoles sonocatalyzed by M/SAPO-34 (M = Fe,Co, Mn,and Cu) nanostructures

The one-step synthesis of silylated 1,2,4,5-tetraaryl imidazoles by use of a series of M/SAPO-34 (M: Fe, Co, Mn, and Cu) nanocatalysts and subsequent silylation reactions is described. Cu/SAPO-34 catalyst has the highest activity in improving the efficiency of the heterogeneous cyclo-condensation of an aldehyde, benzil, ammonium acetate and a primary aromatic amine in water under ultrasonic irradiation. Some of imidazole derivatives are studied with a view to the synthesis of a series of new, multi-substituted imidazoles containing organosilyl groups including carbosilanes (Si–C) and silyl ethers (Si–O).