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Licensed Unlicensed Requires Authentication Published by De Gruyter June 30, 2015

Corrosion inhibition behavior of two quinoline chalcones: insights from density functional theory

  • Gökhan Gece EMAIL logo
From the journal Corrosion Reviews


There has been a considerable surge of experimental inquiry in recent years into understanding the factors responsible for the corrosion inhibition efficiency of chalcones; however, the question of what actually determines the efficiency still remains a topic of debate. In this study, the dependence of the inhibition effect of such two compounds, namely, 3-(3-oxo-3-phenyl-propenyl)-1H-quinolin-2-one and 3-(3-oxo-3-phenyl-propenyl)-1H-benzoquinolin-2-one, on their molecular and electronic structure is analyzed using density functional theory calculations. In agreement with experiments, this study found strong evidence to link corrosion inhibition property of the compounds to their actual molecular structures in acidic media.

Corresponding author: Gökhan Gece, Department of Chemistry, Faculty of Natural Sciences, Architecture and Engineering, Bursa Technical University, Osmangazi, 16190 Bursa, Turkey, e-mail:


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Received: 2015-4-22
Accepted: 2015-5-29
Published Online: 2015-6-30
Published in Print: 2015-7-1

©2015 by De Gruyter

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