Understanding Antioxidant Abilities of Dihydroxybenzenes: Local and Global Electron Transfer Properties

In the current work, globally based on Koopmans’ approximation, local electron transport characteristics of dihydroxybenzenes have been examined using density functional theory for understanding their antioxidant activity. Our experimental and theoretical studies show that hydroquinone has better activities when compared to resorcinol catechol. To identify sites each dihydroxybenzene molecule, an average analytical Fukui analysis was used. The typical results demonstrate oxygen atoms serve as sites. are in good agreement with other; therefore, our reliable.