Abdelhadi Louroubi, Ali Hasnaoui, Youssef Ait Aicha
Feb 11, 2021
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Chemical Data Collections
Abstract
Abstract A single-crystal X-ray diffraction analysis of a pyrrole derivative namely 3-acetyl-2,5-dimethyl-1,4-diphenylpyrrole, that was synthesized by a multicomponent reaction, is described in this paper. The density functional theory (DFT) was performed using B3LYP functional with 6-31G(d, p) basis set for the determination of the molecular geometry and the electronic transitions of the studied compound. Moreover, calculations of the FT-IR vibrational frequencies, 1H and 13C NMR chemical shifts are in good agreement with the experimental values. Electrochemical tests were investigated by potentiodynamic polarization and AC impedance measurement to evaluate the anti-corrosion activity of the compound.