Inventors: Prof. Dr. Suad Mohammed Hussein, Prof. Dr. Rihab Majid Rasheed Kuba/Department of chemistry, College of Science, University of Baghdad
Abstract
The present work involve synthesis of new cyclic organic derivative containing hetero atoms, synthesis of 5-nitro-3-(Ethyl imino acetate)-2-oxo indole (1) (schiff base) via the reaction of 5-nitroisatin with ethyl glycinate in absolute ethanol using glacial acetic acid as a catalyst. The ester compound (1) used as a starting material to synthesis new derivative of phenylsemicarbazide (2). Then the cyclization of compound (2) in alkaline media 4N NaOH were done to obtain 1, 2, 4-triazole derivative (3). All the prepared compounds in this work were characterized by the measurement of some physical properties (melting points), FTIR spectra, 1HNMR, 13CNMR spectra and C.H.N.S analysis.
Quantum mechanical method of the Density Functional Theory (DFT) of B3LYP with a level of 6-311++G (2d, 2p) were used to calculate the geometrical structure, physical properties and inhibition efficiency parameters, all at the equilibrium geometry in four media (vacuum, DMSO, ETOH and H2O).
Finally, the corrosion inhibition, kinetics, and thermodynamics studies of the prepared compound (3) of carbon steel in sea water had been conducted using the potentiodynamic polarization procedure and temperature range (298-318) K. Also the surface changes of the carbon steel were studied using Scanning Electron Microscopy (SEM) and Atomic Force Microscopy (AFM) techniques.