Corrosion inhibition and ecotoxicological assessment of 1,2,3-triazolic alcohols

Publication: Mat Chem Phys
Software: ADMET Predictor®


Here, it is reported the synthesis of two triazole derivatives (1-phenyl-1H-1,2,3-triazole-4-yl)methanol (3a) and (1-(4-nitrophenyl)-1H-1,2,3-triazole-4-yl)methanol (3b)) and their anticorrosive investigation in 1020 mild steel in hydrochloric acid. The corrosion inhibition was evaluated via Weight Loss Study, Linear Polarization Resistance and Electrochemical Impedance Spectroscopy at different temperatures. Maximum efficiencies of 85.1 (3b) and 93.1% (3a) were achieved. Atomic Force Microscopy indicates the formation of a protective layer and physical-chemical parameters indicate that is a chemisorption process for both molecules. Potentiodynamic Polarization curves show that the two triazolic alcohols act as mixed-type corrosion inhibitors. Molecular modeling suggests the electron withdraw effect of nitro group is a crucial factor for the lower efficiency of 3b compared to 3a. Additionally, in silico ecotoxicity prediction suggest the 3a and 3b are less toxic than commercials benzotriazole (BT) and 5-methyl-benzotriazole (5-MeBT).

By Caio Machado Fernandes, Marcos V. Palmeira-Mello, Mylena C. Leite, Joanna A. Macena Oliveira, Iago I. Martins, Rebeca G. de Sác, Lethicia A. de Almeida, Alessandra M.T. Souza, Vinicius R. Campos & Eduardo Ariel Ponzioa