Delarmelina, M., Greco, S.J. and Carneiro, J.W.M. (2017) Single Step Mechanism for Nucleophilic Substitution of 2,3-Dichloro Naphthoquinone Using Nitrogen, Oxygen and Sulfur Nucleophiles: A DFT Approach. Tetrahedron, 73, 4363-4370.
https://doi.org/10.1016/j.tet.2017.05.095

has been cited by the following article:

• TITLE: Synthesis and Evaluation of Corrosion Inhibiting Activity of New Molecular Hybrids Containing the Morpholine, 1,4-Naphthoquinone, 7-Chloroquinoline and 1,3,5-Triazine Cores

  AUTHORS: Regina Westphal, Jorge Welton de Souza Pina, Juliana Panceri Franco, Josimar Ribeiro, Maicon Delarmelina, Rodolfo Goetze Fiorot, José Walkimar de Mesquita Carneiro, Sandro José Greco

  KEYWORDS: Corrosion, Density Functional Calculations, Eletrochemical Impedance Spectroscopy, Heterocycles, Polarization

  JOURNAL NAME: Advances in Chemical Engineering and Science, Vol.10 No.4, September 22, 2020

  ABSTRACT: Three molecules containing morpholine, 1,4-naphthoquinone, 7-chloroquinoline and 1,3,5-triazine cores, scaffolds with recognized anti-corrosive activity, were synthesized and had their anticorrosive activity evaluated through potentiodynamic polarization and electrochemical impedance studies. Both studies were conducted in a simulated production water medium containing 150,000 mg·L-1 Cl- and 5 mg·L-1 S2-. Corrosion inhibition efficiency ranged from 67% - 86%, amongst which the naphthoquinone-containing derivative (compound 1) was the most effective. These compounds act through formation of a protective film on the surface of AISI 316 stainless steel. Investigation of the molecular properties of the prepared inhibitors by DFT calculations revealed that the LUMO energy and chemical hardness of the molecules can be directly correlated with their inhibition efficiency.