Quantum Descriptors and Corrosion Inhibition Potentials of Amodaquine and Nivaquine
- *Corresponding Author:
- Ibeji CU
Department of Pure and Industrial Chemistry
University of Nigeria, Nsukka, Enugu, Nigeria
E-mail: [email protected]
Received Date: December 03, 2016; Accepted Date: January 01, 2017; Published Date: March 30, 2017
Citation: Adejoro IA, Ibeji CU, Akintayo DC (2017) Quantum Descriptors and Corrosion Inhibition Potentials of Amodaquine and Nivaquine. Chem Sci J 8:149. doi: 10.4172/2150-3494.1000149
Copyright: © 2017 Adejoro IA, et al. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
Amodaquine [4-[(7-chloroquinolin-4-yl) amino]-2-(diethylaminomethyl) phenol] and nivaquine (4-N-(7- chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine sulphate) has been studied as potential source of green inhibitor for corrosion of aluminium in 1 M HCl at different concentrations using gravimetric method. To further elucidate the reactivity and efficiency of these anti-malaria drugs as potential corrosion inhibitors, quantum chemical calculations using Density Functional Theory (DFT) method in conjuction with Becke 3 Lee Yar Parr (B3LYP)/6-311++G** level of theory was applied. Kinetics and thermodynamic parameters central to surface adsorption were calculated and discussed. Results revealed that the inhibition efficiency increased as the inhibitor concentration increased but decrease with an increase in temperature with Nivaquine having better inhibition efficiency than Amodaquine. The adsorption of Amodaquine and Nivaquine on the surface of aluminium both followed the Freundlich adsorption isotherm at all concentrations and temperatures. The negative value of ΔGads obtained indicates spontaneous adsorption of the inhibitor on the aluminium surface and a low negativity indicates electrostatic interactions between inhibitor and the charged metal surface.