Synthesis, Characterization and Theoretical Anti-Corrosion Study for Substitute Thiazole Contained Cyclobutane Ring

This study was synthesized: 1-(4-(3-methyl-3-phenylcyclobutyl)thiazol-2-yl)-3-phenylthiourea and 1-(4-chlorophenyl)-3-(4-(3-methyl-3-phenylcyclobutyl)thiazol-2-yl)thiourea. Fourier-Transform Infrared (FT-IR) spectroscopy Nuclear Magnetic Resonance (NMR) were used to characterize the molecular formula. Theoretical vibration computed with Gaussian 09W software, corrosion inhibiting activity quantum chemical calculations. Furthermore, GaussView 5.0 package on B3LYP/6-311G(d,p) method calculate energy of highest occupied orbital (EHOMO), lower orbital, gap (ΔE = ELUMO - EHOMO), dipole moment (µ), percent transmitted electrons (ΔN). Other properties such as hardness (ɳ), softness (σ), electronegativity (χ) calculated based results inhibitor activity. The activities derivatives predicted using As a result, behavior can be without need for an experimental study. show strong relationship between organic-based inhibitors process's parameters.