CdS nanoparticles were synthesized by the ultrasonic-assisted sol-gel method and characterized by X-ray diffraction (XRD). The Ag-doped CdS (Ag/CdS) nanoparticles were also synthesized by the ultrasonic-assisted sol-gel method and characterized by XRD, X-ray fluorescence spectrometry, scanning electron microscopy, and energy-dispersive X-ray analysis. The calculated sizes and experimental results are in good agreement. The calculated band-gaps of CdS and Ag/CdS were found to be 2.62 and 2.46 eV, respectively. Photocatalytic degradation of Direct Red 264 azo dye was investigated with CdS and Ag/CdS under UV-C and visible light irradiation. Experimental results indicate that the degradation rate of DR 264 follows pseudo second-order kinetics. Also, the intraparticle diffusion coefficients of CdS and Ag/CdS were determined.

No abstract

No abstract

No abstract

Ab initio calculations are applied in order to explore metalation of the exocyclic amino group of cytosine by the elements of group IIA (Be, Mg, Ca, Sr and Ba).

No abstract

The electronic structure and properties of the osmabenzene and <em>para</em> substituted osmabenzenes have been explored using the hybrid density functional mpw1pw91 theory. The substituent effects of F, CH₃, OH, CN, NO₂, CHO and COOH in <em>para</em> osmabenzenes complexes were studied. Basic measures of aromatic character were derived from the structure and nucleus-independent chemical shift (NICS). Quantum theory of atoms in molecules analysis (QTAIM) indicates a correlation between ρ(Os-C) bonds and the electron density of bond critical point in all species.

No abstract