Fig. 5: Computational analysis.

Calculated energy profile of the V-complex catalyzed selective C-O bond cleavage of 1a (CSS refers to closed-shell singlet and OSS refers to open-shell singlet).
Calculated energy profile of the V-complex catalyzed selective C-O bond cleavage of 1a (CSS refers to closed-shell singlet and OSS refers to open-shell singlet).