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Minimum-energy geometry calculated for a) the Z-isomer ground state and b) the transition states with inversion of the N atom next to benzene (B-type) or the N atom next to heteroring (H-type) moiety, in arylazopyrazoles 4pzH-F2 (left) and 4pzMe-F2 (right). Free energy barriers calculated with respect to the corresponding ground-state Z-isomer are shown in red. Atom color coding: C in cyan, H in white, N in blue and F in pink.
