Bond lengths nitrite complexes

Now the intracage oxidation mechanism can be analyzed. First of all, the finding that the final state of the inverse reduction reaction is similar to the one found in the unconstrained simulation of nitrite sodalite -I- O2 strongly supports the idea that the [N02- -02] complex is the first step in the direct reaction (after the O2 diffusion inside the cavities). Such a complex may activate the molecular oxygen, and actually when the O2 was complexed to the NO2, its bond length increased and its oscillation became wider, showing a weaker 0-0 bond (see Figure 5). 

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