Aseel F. Abdullah, M. Kadhim, A. Naser
Jun 1, 2021
Citations
0
Influential Citations
0
Citations
Journal
Materials Today: Proceedings
Abstract
Abstract In this study, new azo compounds containing saccharin were synthesized by reacting ethyl—(N-saccharin)acetate(1) with p-amino acetophenone in the presence of sodium ethoxide to produce dicarbonyl compound 1-(4-aminophenyl)-4-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl) but To generate azo compounds, the diazonium salt was subjected to a coupling reaction with various aromatic compounds, including -naphthol, p-nitrophenol, and aniline (3–5). The new azo compounds were identified by FTIR, 1HNMR, and by measuring some of their physical properties. Compounds (3, 4, and 5) were suggested as corrosion inhibitors. To approximate the efficacy of compounds as inhibitors, Density Functional Theory (DFT) and the 6-311/(d,p) base set were used. Occupied orbitals, energy gap, Physical properties like (ionization energy, dipole moment, hardness, and softness) calculated of (3, 4, and 5) compounds. Besides, total electron density (TED) and FUKUI function are described of all.