Structural and Antioxidant Properties of Compounds Obtained from Fe²⁺ Chelation by Juglone and Two of Its Derivatives: DFT, QTAIM, and NBO Studies

Figure 4

Molecular graph of 3A: bond critical points (small red spheres), ring critical points (small yellow sphere), bond paths (green lines), and O-H⋯CN VDW interaction (orange line).