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In the present work, the molecular interactions of four amino acid compounds were simulated through the density functional theory (DFT) indexes to study their inhibitive properties. The prototype inhibitors previously synthesized 2-amino-N-decylacetamide (G), 2-amino-N-decylpropionamide (A), 2-amino-N-decyl-3-methylbutyramide (V), and 2-amino-N-decyl-3-(4-hydroxyphenyl)propionamide (T) were used to test the accuracy of this calculation. The generalized gradient approximation (GGA) was the ab initio approach used to optimize the ground state of the molecules. The simulation of molecular dynamics with force field (AMBER) was calculated to obtain the interaction energy between the metallic surface and the inhibitor molecules. A strong correlation of the global and local indexes with the inhibiting capacity was observed. The inhibitive properties of compounds on mild steel in an aqueous hydrochloric acid solution agreed well with those derived from the reactivity and selectivity indexes in gaseous phase.

An efficient and fast procedure for the synthesis of 2‐(2‐pyridyl)azoles is described using ionic liquids as catalysts under microwave irradiation. The X‐ray crystallographic analyses for three of the four synthesized compounds are presented. Potentiodynamic polarization studies were carried out to analyze the electrochemical behavior of the compounds in corrosive acidic media. Of the four derivatives, one compound was detected to be an effective corrosion inhibitor prototype for oil refinery environments.

Pyridine derivatives R 0380Microwave-Assisted Synthesis of 2-(2-Pyridyl)azoles. Study of Their Corrosion Inhibiting Properties. -An efficient and fast procedure for the synthesis of title compounds (III) is presented. Potentiodynamic polarization studies are carried out to analyze the electrochemical behavior of (III) in corrosive acidic media. Derivative (IIIa) is found to be an effective corrosion inhibitor prototype for oil refinery environments. -(LIKHANOVA, N. V.; VELOZ, M. A.; HOEPFL, H.; MATIAS, D. J.; REYES-CRUZ, V. E.; OLIVARES, O.; MARTINEZ-PALOU*, R.; J. Heterocycl. Chem. 44 (2007) 1, 145-153; Inst. Mex. Pet., 07730 Mexico, Mex.; Eng.) -H. Haber 23-133