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In this study, the decolourization of Reactive Red 195 dye (RR 195) from its aqueous solution has been investigated using electrochemical treatment method in a batch electrochemical cell using iron electrode. This method is a simple, cost effective and reliable technique. The main advantage of this process is need not add any coagulant to the aqueous dye, also there will not be further increase of salinity after treatment. The effects of operating parameters, such as concentration of electrolyte, solution pH, stirring speed, current density and dye concentration was investigated and the maximum Color removal of 95℅ was reached under the optimized conditions of natural pH of 7, Current density 20 mA/cm2, Electrolyte concentration 0.075 mg, stirring speed 200 rpm, dye concentration 200 ppm and treatment time of 90 min. UV-Visible spectra to confirm the absorbance of treated and untreated samples. [ABSTRACT FROM AUTHOR]

The vibrational frequencies and frontier molecular orbitals of 2-(tert-buroxycarbonyl (Boc) -amino)-5- bromopyridine (BABP) were theoretically calculated by the DFT/B3LYP method with cc-pVTZ basis set using Gaussian 09 program. The vibrational spectra were experimentally recorded by Fourier transform-infrared (FT-IR) and Raman spectrometer. The computed vibrational frequencies were scaled by scale factors to yield a good agreement with observed vibrational frequencies. Theoretically calculated and experimentally observed vibrational frequencies were compared and assigned. The molecular interaction, stability and intermolecular charge transfer of BABP were studied using frontier molecular orbitals (FMO) analysis. [ABSTRACT FROM AUTHOR]