TiO₂ photocatalysis is considered as an alternative to conventional disinfection processes for the inactivation of waterborne microorganisms. The efficiency of photocatalysis is limited by charge carrier recombination rates. When the photocatalyst is immobilized on an electrically conducting support, one may assist charge separation by the application of an external electrical bias. The aim of ...

In this paper we report an eco-friendly route for the synthesis of sliver nanoparticles using Agaricus bisporus (white button mushroom) extract. The synthesized silver nanoparticles were confirmed and characterized by UV-Visible spectrum of the aqueous solution containing silver ions showed a peak at 420 nm corresponding to the surface plasmon absorbance of silver nanoparticles. Transm...

The ultraviolet-visible light (UV-vis) absorption spectrum of ferrocene is modeled with time-dependent density functional theory employing LSDA, BLYP, B3LYP, and CAM-B3LYP functionals in combination with 6-31G*, 6-31+G*, CC-PVTZ, and aug-CC-PVTZ basis sets. With the exception of LSDA, all functionals predict a reasonable Fe-CP distance of ∼1.67 Å. Diffuse functions are essential for the strongl...

Experimental and theoretical absorption spectra of [2-[2-[4-(dimethylamino) phenyl]ethenyl]-6-methyl-4H- pyran-4-ylidene]-propanedinitrile (DCM) have been studied. UV-Visible (UV-Vis.) absorption spectrum of DCM has been reported after its synthesis. Two relatively intense peaks appeared at 473 and 362 nm respectively. A theoretical investigation on the electronic structure of DCM is presented ...

in this paper, the mer-co(nh3)3(no2)3 complex was used as a new precursor for synthesizing spinel-type cobalt oxide nanoparticles (co3o4nps).thermal decomposition of the complex at low temperature (175 °c) resulted in the co3o4nps without using expensive and toxic solvents or complicated equipment. xrd, ft-ir, sem, edx, and tem were employed to characterize the product, and its optical and magn...

Today, despite the increasing demands for the products of chemical industries and the relatedfactories, the challenges of environmental pollution have not been improved and it is approaching avery dangerous stage. In this regard, the role of dyeing industries in contaminating the environment isundeniable. In this research, ZnO and ZnO-TiO2 nanoparticles were synthesized by co-...

Abstract The article compares the experimental Fourier transform-infrared, Ultraviolet-visible (UV-vis), and proton nuclear magnetic resonance ( 1 H NMR) spectra of voriconazole fluconazole with density functional theory (DFT) calculations using five different functionals. results were compared previously reported data related to its analogue – posaconazole. analysis calculated infrared (IR) us...

A number of complexes in the series (Cu LL'),, where L = [(CH,),C-CO-CH-COC( CH,),]-I and L'= 3-(Me) C6H,0-, 2,6-(Di-Me)C6H30-, 4-(OH)C6H?O-, 3- (F) C6H,0-, 4-(Br)C6H40-a, nd 3,s-(Dl-Me)C6H30h- ave been prepared and theu magnetic and optical properties determined. In chloroform, the complexes exhibit two bands in the visible and near UV regions. All complexes show room temperature magnetic ...