%0 Journal Article
%T Inhibition Performance of Some Sulfonylurea on Copper Corrosion in Nitric Acid Solution Evaluated Theoretically by DFT Calculations
%A Mougo Andr¨¦ Tigori
%A Amadou Kouyat¨¦
%A Victorien Kouakou
%A Paulin Marius Niamien
%A Albert Trokourey
%J Open Journal of Physical Chemistry
%P 139-157
%@ 2162-1977
%D 2020
%I Scientific Research Publishing
%R 10.4236/ojpc.2020.103008
%X The theoretical study of chlorpropamide, tolazamide and glipizide was
carried out by the </span><span style=\"font-family:Verdana;\">Density Functional
Theory </span><span style=\"font-family:Verdana;\">(DFT) at B3LYP/6-31G(d) level. This study</span></span><span style=\"font-family:&quot;\"> </span><span style=\"font-family:Verdana;\">made it possible to determine the global reactivity
parameters in order to better understand the interactions between the molecules
studied and the copper surface. Then, the determination of local reactivity
indices (Fukui functions and dual descriptor) on these molecules resulted in
the precision </span><span style=\"font-family:Verdana;\">on </span><span style=\"font-family:Verdana;\">the most probable center</span><span style=\"font-family:Verdana;\">s </span><span style=\"font-family:Verdana;\">of nucleophilic and electrophilic attacks within each molecule. The results
obtained, show that chloropropamide, tolazamide and glipizide can be good
inhibitors against copper corrosion. Thus, the mechanism of copper corrosion
inhibition of these compounds in nitric acid solution has been explained </span><span style=\"font-family:Verdana;\">by means of theoretical calculations</span><span style=\"font-family:Verdana;\">.
%K Chlorpropamide
%K Tolazamide
%K Glipizide
%K Density Functional Theory
%K Copper Corrosion
%U http://www.scirp.org/journal/PaperInformation.aspx?PaperID=101935