Novel Bis Maleimide Derivatives Containing Azo Group: Synthesis, Corrosion Inhibition, and Theoretical Study

Abstract

Novel derivatives of heterocyclic azo compounds have been synthesized through a free catalyst reaction. The structures of the synthesized compounds were confirmed by using different techniques such as 1H-NMR, 13C-NMR, and mass spectroscopy. The prepared derivatives were evaluated as corrosion inhibitors for mild steel after the inhibitory performance toward mild steel in 0.1 M HCl solution. The prepared derivatives, i.e. (1,1'-(((1E,1'E)-1,4-Phenylenebis(diazene-2,1-diyl))bis(4-methyl-3,1-phenylene))bis(1H-pyrrole-2, 5-dione)) 1 and (1,1'-(((1Z,1'Z)-(Oxybis(4,1-phenylene))bis(diazene-2,1-diyl)) bis(4-methyl-3,1-phenylene))bis(1H-pyrrole-2,5-dione)) 2 showed inhibition efficiency 89.22% and 91.30%, respectively at concentration 1 × 10–3 M. The isotherm adsorptions of these derivatives were found to obey Langmuir model. Furthermore, Density functional theory was used for theoretical estimation of the HOMO, LUMO, and other chemical quantum parameters. The results indicated that the synthesized derivatives displayed a corrosive inhibitory property in which derivative 2 was more effective than derivative 1. In addition, the theoretical results were in agreement with the experimental data.

Synthesis, DFT calculations and optical nonlinear properties of two derived Schiff base compounds from ethyl-4-amino benzoate

“…Nonlinear optical (NLO) properties of the prepared compounds were studied by calculation of some global chemical reactivity descriptors (GCRD) using urea as a reference [69]. The GCRD can play a critical part in NLO properties such as E HOMO , absolute softness (σ), and global softness (Ѕ).…”

Preparation and Characterization of New Azo Dye and its use as a corrosion inhibitor in (1 M) HCl

“…This is due to the possibility of protonation on the nitrogen atoms in the azo group. [16][17] The third mechanical: the possibility of electrons overlapping π bonds with d orbitals, which leads to the formation of a protective layer that prevents corrosive substances from reaching the surface of the metal [18]…”

A novel azo compound derived from ethyl-4-amino benzoate: synthesis, nonlinear optical properties and DFT investigations

“…Further, the azo compounds are reactive compounds, which were reported for their pharmaceutical importance as antineoplastic, antidiabetic [34], anticancer [35] and antibacterial [29]. The theoretical studies on the structure of each synthetic azo compounds were also carried to describe the relation among the molecular structure and the compounds properties [36,37].…”