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51.
The influence of strain on structural and electronic properties of zig-zag type of boron nitride nanotubes (BNNTs) has been studied by density functional theory calculations. The variations of HOMO–LUMO gaps, geometrical parameters, cohesive energy, radial buckling, isodensity surfaces of the HOMOs and LUMOs, electrophilicity index, chemical potential, and chemical hardness and softness have been investigated for BNNTs at different strains. Our results show that the effect of axial strain on the electronic and structural properties of zig-zag BNNTs depends on the diameter as well as the length of the nanotube. 相似文献
52.
Ali Hossein Kianfar Sanam Asl Khademi Roghaye Hashemi Fath Mahmoud Roushani Mojtaba Shamsipur 《Journal of the Iranian Chemical Society》2013,10(2):347-355
The VO(IV) complexes of tridentate ONN Schiff ligands were synthesized and characterized by IR, UV–Vis and elemental analysis. The electrochemical properties of the vanadyl complexes were investigated by cyclic voltammetry. A good correlation was observed between the oxidation potentials and the electron-withdrawing character of the substituents on the Schiff base ligands, showing the following trend: MeO < H < Br < NO2. The thermogravimetry (TG) and differential thermoanalysis (DTA) of the VO(IV) complexes were carried out in the range of 20–700 °C. The VOL1(OH2) and VOL2(OH2) decomposed in three steps, whereas the VOL3(OH2) and VOL4(OH2) complexes decomposed in two steps. The thermal decomposition of these complexes is closely related to the nature of the Schiff base ligands and proceeds via first-order kinetics. The structures of compounds were determined by ab initio calculations. The optimized molecular geometry and atomic charges were calculated using MP2 method with 6-31G(d) basis. The results suggested that, in the complexes, V(IV) ion is in square-pyramid N2O3 coordination geometry. Also the bond lengths and angles were studied and compared. 相似文献
53.
Abbas Rahmati Ali Hossein Rezayan Meysam Alizadeh Ali Nikbakht 《Journal of the Iranian Chemical Society》2013,10(3):521-525
A simple and eco-friendly synthesis of the biologically important spirooxindole scaffold was done by the reaction of isatin with activated pyrazolones in the presence of a catalytic amount of p-toluenesulfonic acid in water at room temperature. A variety of symmetrical spirooxindole derivatives were obtained with excellent yields within short reaction time. This method is of great value because of its environmentally benign character, high yield, and easy handling. 相似文献
54.
Saied Saeed Hosseiny Davarani Hamid Reza Moazami Ali Reza Keshtkar Mohammad Hossein Banitaba Saeed Nojavan 《Analytica chimica acta》2013
A novel method for the selective electromembrane extraction (EME) of U6+ prior to fluorometric determination has been proposed. The effect of extraction conditions including supported liquid membrane (SLM) composition, extraction time and extraction voltage were investigated. An SLM composition of 1% di-2-ethyl hexyl phosphonic acid in nitrophenyl octyl ether (NPOE) showed good selectivity, recovery and enrichment factor. The best performance was achieved at an extraction potential of 80 volts and an extraction time of 14 minutes Under the optimized conditions, a linear range from 1 to 1000 ng mL−1 and LOD of 0.1 ng mL−1 were obtained for the determination of U6+. The EME method showed good performance in sample cleanup and the reduction of the interfering effects of Mn2+, Zn2+, Cd2+, Ni2+, Fe3+, Co2+, Cu2+, Cl− and PO43− ions during fluorometric determination of uranium in real water samples. The recoveries above 54% and enrichment factors above 64.7 were obtained by the proposed method for real sample analysis. 相似文献
55.
Efficient method for direct preparation of 14‐aryl‐14‐H‐dibenzo[a,j]xanthenes through condensation of β‐naphthol with various aromatic aldehydes in the presence of the catalytic amount of [H—NMP]+[HSO4]? under microwave irradiation was described. This method has the advantages such as; very easy reaction workup, absolute separation of catalyst from the reaction mixture and smooth recyclability of catalyst. In this reaction 14‐aryl‐14‐H‐dibenzo[a,j]xanthenes were obtained as desired products in excellent yields and short reaction times via green and one‐pot procedure. 相似文献
56.
CuO‐CeO2 nanocomposite is reported as a highly efficient and recyclable catalyst for the green synthesis of 1,8‐dioxooctahydroxanthenes in water. This catalyst can be recovered by simple filtration and recycled up to 8 consecutive runs without any losing of its efficiency. 相似文献
57.
58.
Majid M. Heravi Hamideh Alinejhad Fatemeh Derikvand Hossein A. Oskooie Bita Baghernejad Fatemeh F. Bamoharram 《合成通讯》2013,43(14):2033-2039
We report here two simple methods for the synthesis of benzo[c]acridine derivatives from three-component, one-pot condensation of 1-naphthylamine, dimedone, and a variety of substituted aldehydes in the presence of a catalytic amount of NH2SO3H or H6P2W18O62 · 18H2O under solvent-free conditions at 120 °C or in refluxing ethanol. 相似文献
59.
Majid M. Heravi Fatemeh Nahavandi Samaheh Sadjadi Hossein A. Oskooie Fatemeh F. Bamoharram 《合成通讯》2013,43(4):498-503
Reaction of aldehydes and 4-hydroxycoumarin in the presence of catalytic amount of silica-supported Preyssler nanoparticles led to synthesis of bis-coumarins in excellent yields. 相似文献
60.
1,1‐Diacetates have been synthesized by the reaction of a variety of aldehydes with acetic anhydride in the presence of cupric nitrate as catalyst under solvent‐free conditions. Ketones were not converted to the corresponding diacetates under these conditions. 相似文献