Laila I. Ali

Effect of Ag-doping of nanosized FeMgO system on its structural, surface, spectral, and catalytic properties

The effects of Ag-doping on the physico-chemical, spectral, surface, and catalytic properties of the FeMgO system with various Fe2O3 loadings were investigated. The dopant (Ag) molar ratio varied between 0.01 % and 0.05 %. The techniques employed for characterisation of catalysts were TG/DTG, XRD, ESR, N2 adsorption at −196°C, and catalytic decomposition of H2O2 at 25–35°C. The results obtained revealed that the investigated catalysts consisted of nanosized MgO as the major phase, apart from the MgFe2O4 and/or Fe3O4 phases. ESR result of the FeMgO system revealed the presence of paramagnetic species as a result of Ag-doping. The textural properties including SBET, porosity and St were modified by Ag-doping. The doping process with Ag-species improved the catalytic activity of the FeMgO system. Increasing the calcination temperature from 400°C to 800°C increased the catalytic activity (k*30 °C) of 0.05 AgFeMgO in H2O2 decomposition by 21.2 times.

Electronic Absorption Spectra of Some Triazolopyrimidine Derivatives

The electronic absorption spectra of triazolo pyrimidine and some of its derivatives were measured in polar as well as nonpolar solvents. Assignment of the observed transitions is facilitated via molecular orbital calculations. Charge density distributions, dipole moments, and the extent of delocalization of the MOS were used to interpret the observed solvent effects. The observed transitions are assigned as charge transfer (CT), localized, and delocalized according to the contribution of the various configurations in the CI-states. The correspondence between the calculated and experimental transition energies is satisfactory.

DFT calculations and electronic absorption spectra of some, α- and γ-pyrone derivatives

The electronic absorption spectra of 6-ethyl-4-hydroxy-2,5-dioxo-pyrano[3,2-c] quinoline 1, 6-ethyl-4-hydroxy-3-nitro-2,5-dioxo-pyrano[3,2-c] quinoline 2, 6-ethyl-4-chloro-2,5-dioxo-pyrano[3,2-c] quinoline 3, 6-ethyl-3-nitro-4-chloro-2,5-dioxo-pyrano[3,2-c] quinoline 4, 6-ethyl-4,5-dioxopyrano[3,2-c] quinoline 5, and 6-ethyl-3-nitro-6H-pyrano [3,2-c]quinoline-4,5-dione 6, were measured in polar (methanol) as well as nonpolar (dioxane) solvents. The geometries were optimized using B3LYB/6-311G (p,d) method. The most stable geometry of the studied compounds, 1-6, is the planar structure as indicates by the values of the dihedral angles. The insertion of a nitro group in position 3 in both α- and γ-pyrone ring decreases the energy gap and hence increases the reactivity of 3 and 6 compounds. Assignment of the observed bands as localized, delocalized and/or of charge transfer (CT) has been facilitated by TD-DFT calculations. The correspondences between the calculated and experimental transition energies are satisfactory. The solvent and substituent effects have been investigated. Chloro-substituent has a higher band position and intensity effects on the spectra more than hydroxyl or nitro groups.

Effect of Ag-doping of Nanosized FeAlO System on its Structural, Surface and Catalytic Properties

The effects of Ag2O-doping on the physicochemical, surface and catalytic properties FeAlO system with various extent of Fe2O3 loading have been investigated. The dopant concentration was changed between 1.5 and 4.0 mol % Ag2O. Pure and variously doped solids were subjected to heat treatment at 400-800?C. The techniques employed for characterization of catalysts were TG/DTG, XRD, N2-adsorption at ?196?C and the catalytic decomposition of H2O2 at 25-40?C. The obtained results revealed that, the investigated catalysts consisted of nanosized ?-Al2O3 phase. The textural properties including SBET, porosity and St were modified by Ag2O-doping. The doping process with Ag-species improved the catalytic activity of FeAlO system. Increasing the precalcination temperature from 400 to 800?C increased the catalytic activity (k30°C) of 3.5 % AgFeAlO with 1.9 fold towards H2O2 decomposition. Furthermore, the maximum increase in the k30°C value due to doping with 3.5 mol% Ag2O attained about 15.1 fold for the solids calcined at 800°C.

Effect of the Si/Al ratio of HZSM-5 zeolite on the production of dimethyl ether before and after ultrasonication

Abstract A series of as-synthesized HZSM-5 zeolites with different Si/Al ratios (25, 90, 120, 240 and 400) were post-treated by ultrasonication for an optimum time of 60 min. The morphology, acidity and textural properties of HZSM-5 were characterized with XRD, SEM, N2 adsorption and NH3-TPD techniques. The catalytic performance was evaluated by dehydration of methanol to dimethyl ether (DME), which is a promising gaseous automotive fuel in future. It was found that the Si/Al ratio of HZSM-5 had considerable impacts on its catalytic performance for dehydration of methanol to DME. Its activity increased with decreasing Si/Al ratio from 400 to 25. Ultrasonication of HZSM-5 could significantly improve its catalytic performance.