Abstract
DFT calculations have been applied to newly synthesized crown ethers derived from quinoline, 1-3. The thermodynamic parameters of all three crown ethers showed that strong interactions occurred with metal surfaces, such as Fe, Al and Cu. However, compound 1 was found to be the best green corrosion inhibitor of metals compared to the other compounds. In addition, the cyclic voltammetry measurements for compounds 1-3 showed irreversible redox processes. The appearance of spurious re-oxidation events at potentials E circle' approximate to (600 - 1400 mV) confirms that the reduction of these compounds leads to the decomposition of the original species to unidentified by-products.