Figure 7.
Near the proton added to azadiradione in Figure 6, a superoxide radical (O-O bond distance 1.373 Å) is initially placed through van der Waals forces, 2.60 Å apart (not shown). Upon DFT minimization, the proton becomes linked to superoxide, forming a HO2 species, which results in its detachment from the remaining azadiradione neutral radical, O---H distance = 1.624 Å.
