Synthesis guided by multivariate analysis of computational descriptors and electrochemical evaluation of aniline-based Schiff bases as potential corrosion inhibitors in acidic media

Synthesis guided by multivariate analysis of computational descriptors and electrochemical evaluation of aniline-based Schiff bases as potential corrosion inhibitors in acidic media

Using the density functional theory (DFT), we analyzed the electronic properties of 42 Schiff bases, revealing key descriptors such as HOMO, LUMO and electronegativity, which correlate with their reactive behavior and adsorption. Principal component analysis (PCA) and hierarchical cluster analysis (...

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Bibliographic Details
Main Authors: Carlos Andrés Coy-Barrera, Lili Dahiana Becerra, Vicky Carolina Gonzalez, Diego Quiroga
Format: Article
Language:English
Published: Elsevier 2025-08-01
Series:Results in Surfaces and Interfaces
Subjects:
Schiff bases
Green corrosion inhibitors
Carbon steel
Electrochemical techniques
Protective coatings
Online Access:http://www.sciencedirect.com/science/article/pii/S2666845925002028
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