- Communications Faculty of Sciences University Ankara Series B Chemistry and Chemical Engineering
- Vol: 64 Issue: 1
- A theoretical approach to the inhibitive effect of two new Schiff base compounds
A theoretical approach to the inhibitive effect of two new Schiff base compounds
Authors : Burçin Çakir, Kaan Cebesoy Emregül
Pages : 1-19
View : 11 | Download : 6
Publication Date : 2022-07-18
Article Type : Research
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 E HOMO , E LUMO , ΔE, chemical hardness were calculated and discussed.Keywords : Quantum chemical calculations, DFT, electrochemical impedance spectroscopy (EIS), mild steel, adsorption