Synthesis, Characterization, Antioxidant Properties, and Structural Optimization of a Schiff Base Derived from 4H-1,2,4-triazole-3,5-diamine

Schiff bases were synthesized to explore their potential as effective antioxidant agents. The synthesis involved the condensation of aromatic aldehydes with 4H-1,2,4-triazole-3,5-diamine. The structures of the resulting compounds were confirmed using various spectroscopic techniques and elemental analysis. Furthermore, theoretical studies, including in silico computations with Density Functional Theory (DFT) calculations, supported the efficiency and stability of the synthesized compounds. The antioxidant activity of the samples was evaluated using the DPPH radical scavenging method, which indicated that the compounds exhibited good antioxidant properties.