Journals / Communications Faculty of Sciences University of Ankara Series B Chemistry and Chemical Engineering / 2022 / Cilt: 64 - Sayı: 1
A theoretical approach to the inhibitive effect of two new Schiff base compounds
- Journal
- Communications Faculty of Sciences University of Ankara Series B Chemistry and Chemical Engineering
- Pages
- 1–19
- DOI
- —
Abstract
The corrosion inhibition of mild steel was investigated using theoretical calculations in 2,2-[2,2-{2-hidroxy propane-1,3diyl}bis(oxy)bis(2,1-phenylene)]bis(methane-l-yl-l-ylidene ) bis(azan-l-yl-l-ylidene)diphenol (DF1) and 2,2-[2,2-{ethane-1,2diylbis(oxy)}bis(2,1-phenylene)]bis(methane-l-yl-l-ylidene)bis(azan-l-yl-l-yl-idene) diphenol (DF2). Various quantum chemical descriptors like EHOMO, ELUMO, ΔE, chemical hardness were calculated and discussed.