A theoretical approach to the inhibitive effect of two new Schiff base compounds

Authors : Burçin ÇAKIR, Kaan Cebesoy EMREGÜL

Pages : 1-19

View : 23 | Download : 5

Publication Date : 2022-07-18

Article Type : Research Paper

Abstract :The corrosion inhibition of mild steel was investigated using theoretical calculations in 2,2-[2,2-{2-hidroxy propane-1,3diyl}bisinsert ignore into journalissuearticles values(oxy);bisinsert ignore into journalissuearticles values(2,1-phenylene);]bisinsert ignore into journalissuearticles values(methane-l-yl-l-ylidene ); bisinsert ignore into journalissuearticles values(azan-l-yl-l-ylidene);diphenol insert ignore into journalissuearticles values(DF1); and 2,2-[2,2-{ethane-1,2diylbisinsert ignore into journalissuearticles values(oxy);}bisinsert ignore into journalissuearticles values(2,1-phenylene);]bisinsert ignore into journalissuearticles values(methane-l-yl-l-ylidene);bisinsert ignore into journalissuearticles values(azan-l-yl-l-yl-idene); diphenol insert ignore into journalissuearticles values(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

ORIGINAL ARTICLE URL