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91.
Arash Ghorbani-Choghamarani Mohammad Soleiman-Beigi Farid Noormohammadi 《Phosphorus, sulfur, and silicon and the related elements》2013,188(8):1665-1672
Abstract Trimethylphenylammonium tribromide has been introduced as a versatile and new oxidizing agent for the preparation of disulfides and sulfoxides from thiols and sulfides, respectively. The reaction progress is simple, and proceeds under mild and homogenous conditions in ambient temperature. Supplemental materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the free supplemental file. GRAPHICAL ABSTRACT 相似文献
92.
The MCM‐41 and SiO2 supported TiCl4 and TiCl4/MgCl2 catalysts with different molar ratios of Mg/Ti were synthesized and used for ethylene polymerization under atmospheric pressure. The nanochannels of MCM‐41 serve as nanoscale polymerization reactor and the polyethylene nanofibers were extruded during the reaction. The nanofibers were observed in SEM micrographs of resulting polyethylene. The effect of MgCl2 on catalytic activity and thermal properties of resulting polyethylene is investigated too. In the presence of MgCl2, the catalytic activity increased and more crystalline polyethylene with higher melting points were formed. However, no fibers could be observed in the polyethylene prepared by SiO2 supported catalysts. 相似文献
93.
Mohammad Hossein Keshavarz Somayeh Moradi Bahman Ebrahimi Saatluo Hadi Rahimi Ali Reza Madram 《Journal of Thermal Analysis and Calorimetry》2013,112(3):1453-1463
A novel general method is introduced to predict deflagration temperature of organic energetic compounds containing at least –NNO2, –ONO2, or –CNO2 groups. Deflagration temperature is an important safety parameter in working with dangerous energetic compounds and their environmental problems. It is shown that the contribution of some molecular structure parameters can be used to interpret thermal decomposition of an energetic compound. For 86 energetic materials (corresponding to 102 measured values) with different molecular structures, the new correlation has the root mean square (rms) and the average deviations of 23.8 and 19.0 K, respectively. The new method is also tested for some energetic compounds with complex molecular structures, e.g., two new organic energetic molecules N,N′-bis(1,2,4-triazol-3yl)-4,4′-diamino-2,2′,3,3′,5,5′,6,6′-octanitroazobenzene (BTDAONAB) and 2,4,6-trinitrophloroglucinol. 相似文献
94.
Mahdi Tohidian Seyed Reza Ghaffarian Seyed Emadodin Shakeri Erfan Dashtimoghadam Mohammad Mahdi Hasani-Sadrabadi 《Journal of Solid State Electrochemistry》2013,17(8):2123-2137
Nanocomposite membranes based on polyelectrolyte complex (PEC) of chitosan/phosphotungstic acid (PWA) and different types of montmorillonite (MMT) were prepared as alternative membranes to Nafion for direct methanol fuel cell (DMFC) applications. Fourier transform infrared spectroscopy (FTIR) revealed an electrostatically fixed PWA within the PEC membranes, which avoids a decrease in proton conductivity at practical condition. Various amounts of pristine as well as organically modified MMT (OMMT) (MMT: Cloisite Na, OMMT: Cloisite 15A, and Cloisite 30B) were introduced to the PEC membranes to decrease in methanol permeability and, thus, enhance efficiency and power density of the cells. X-ray diffraction patterns of the nanocomposite membranes proved that MMT (or OMMT) layers were exfoliated in the membranes at loading weights of lower than 3 wt.%. Moreover, the proton conductivity and the methanol permeability as well as the water uptake behavior of the manufactured nanocomposite membranes were studied. According to the selectivity parameter, ratio of proton conductivity to methanol permeability, the PEC/2 wt.% MMT 30B was identified as the optimum composition. The DMFC performance tests were carried out at 70 °C and 5 M methanol feed and the optimum membrane showed higher maximum power density as well as acceptable durability compared to Nafion 117. The obtained results indicated that owing to the relatively high selectivity and power density, the optimum nanocomposite membrane could be considered as a promising polyelectrolyte membrane (PEM) for DMFC applications. 相似文献
95.
Hossein Farsi Seyyed Amirhossein Hosseini 《Journal of Solid State Electrochemistry》2013,17(7):2079-2086
A simple coprecipitation method was used for preparation of monoclinic nanostructured NiWO4 from an aqueous solution at a fixed pH and temperature of 7.0 and 80 °C, respectively. The prepared material was characterized by X-ray diffraction, scanning electron microscopy, photoluminescence spectroscopy, and electrochemical measurements. Nano-NiWO4 was incorporated into a carbon paste electrode and by means of cyclic voltammetry; the electrochemical behavior of methylene blue on the surface of nano-NiWO4 was investigated. A mechanism on terms of obtained cyclic voltammograms showing one reduction peak and two sequential oxidation peaks was suggested by emphasizing on the stabilizing role of nano-NiWO4 for semi-methylene blue. A diffusion coefficient of 5.30?×?10?6 cm2/s was gained for methylene blue. 相似文献
96.
In this work, a voltammetric method has been developed for the simultaneous determination of captopril (CPT) and hydrochlorothiazide (HCT) in pharmaceutical combinations and clinical samples using a graphene/ferrocene composite carbon paste (GR/Fc/CP) electrode. The electrochemical behaviors of CPT and HCT were individually and simultaneously investigated at the surface of the GR/Fc/CP electrode. In differential pulse voltammetric (DPV) mode and under optimized experimental conditions, CPT and HCT gave linear responses over the concentration ranges 1.0–430 µM and 0.5–390 µM (r2>0.99), respectively. The prepared electrode could be used for simultaneous determination of CPT and HCT in some real samples. 相似文献
97.
Chemical functionalization of C60 fullerene with one to six carbene (CH2) molecule(s) has been investigated using density functional theory. We have found that the reaction is regioselective so that a CH2 molecule prefers to be adsorbed atop a C–C bond which is shared between two hexagonal rings of the C60, releasing energy of ?3.95 eV. Singly occupied molecular orbital (SOMO) of the CH2 interacts with LUMO of the C60 via a [2 + 1] cycloaddition reaction. Energy of the reaction and work function of the system are decreased by increasing the number of adsorbed CH2 molecules. The HOMO/LUMO energy gap of C60 is slightly changed and the electron emission from its surface is facilitated upon the functionalization. 相似文献
98.
Alireza Najafi Chermhini Hossein Farrokhpour Abbas Teimouri Fatemah Pourmoghaddas 《Structural chemistry》2013,24(4):1215-1227
The tautomerism of all possible forms of imidazole selenone (ISe1–ISe6), induced by proton transfer was studied theoretically in different environments including gas phase, continuum solvent, and microhydrated environment with one explicit water molecule. The calculations were performed at the MP2 and CAM-B3LYP levels of theory, separately. It was found that the imidazole selenone, in the form of ISe3, is the most stable isomer in both gas phase and solvent. The activation energy for conversion of ISe3 to imidazole selenol (ISe6), as the second stable form, is 41.72 and 43.0 kcal/mol in the gas phase and water, respectively. The infrared spectral frequencies as well as the vibrational frequency shifts were reported and assigned to their corresponding vibrational modes. In addition, the variation of dipole moments and charges on the atoms with change of solvent was studied. The energies of HOMO, LUMO, and HOMO–LUMO gap were calculated in both gas phase and solvent. Specific solvent effects with addition of water molecule near the electrophilic centers of tautomers and the transition states of proton transfer, assisted by water molecule, were investigated. It was found that the water molecule can form different hydrogen bonds with the molecule. Aggregation of the isomers with water molecule does not change the order of stability of isomers, but proton transfer reaction assisted by a water molecule needs less energy than when the proton shifts through the intramolecular process. 相似文献
99.
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
100.
Mohammad Reza Hadjmohammadi S. Saman S. J. Nazari 《Journal of separation science》2013,36(23):3667-3672
The simultaneous isocratic separation of a mixture of five phenolic acids and four flavonoids (two important groups of natural polyphenolic compounds with very different polarities) was investigated in three different RPLC modes using a hydro‐organic mobile phase, and mobile phases containing SDS at concentrations below and above the critical micellar concentration (submicellar LC and micellar LC (MLC), respectively). In the hydro‐organic mode, methanol and acetonitrile; in the submicellar mode methanol; and in the micellar mode, methanol and 1‐propanol were examined individually as organic modifiers. Regarding the other modes, MLC provided more appropriate resolutions and analysis time and was preferred for the separation of the selected compounds. Optimization of separation in MLC was performed using an interpretative approach for each alcohol. In this way, the retention of phenolic acids and flavonoids were modeled using the retention factors obtained from five different mobile phases, then the Pareto optimality method was applied to find the best compatibility between analysis time and quality of separation. The results of this study showed some promising advantages of MLC for the simultaneous separation of phenolic acids and flavonoids, including low consumption of organic solvent, good resolution, short analysis time, and no requirement of gradient elution. 相似文献