Synthesis, Characterization, Theoretical Study and Investigation of Adsorption of 4-(Quinolin-8-yldiazenyl)naphthalen-1-ol on Olive peel

Azodye{4-(Quinolin-8-yldiazenyl)naphthalen-1-ol} was synthesized by reaction of 8-Aminoquinoline with Alpha-naphthol. The product identified by using (CHN, IR, UV-Visible spectra and melting point. The Olive peel was used to adsorb the azo dye from ethanolic solution; the results showed that the Olive peel is good absorbent. Effect of pH and temperature were studied. It was shown that the efficiency of adsorption decreased at (pH=5 and 7) comparing with the basic medium, and the adsorption decreased with increasing the temperature. A theoretical treatment in gas phase was studied by using hyper chem-8 program for the molecular mechanics and semi-empirical calculations. The heat of formation and binding energy as well as dipole moment was calculated by using ZINDO/1 and PM3 methods at 298 K. The electrostatic potential of t was calculated for the reactive sites of the molecules, PM3 was used to evaluate vibrational spectra of free ligands. The obtained frequencies agreed well with experimental values. The calculation helped to assign unambiguously the most diagnostic bands. The frontier orbital's (HOMO & LUMO) were calculated by PM3 method. Electronic spectrum was calculated theoretically by using ZINDO/S method and compared it with experimental results. It appeared a closely between the theory and experimental spectrum. (paper)