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. Author manuscript; available in PMC: 2019 Jul 24.
Published in final edited form as: J Phys Chem Lett. 2018 Jun 6;9(12):3315–3322. doi: 10.1021/acs.jpclett.8b01062

Figure 3.

Figure 3.

Distribution of the hopping (A) and decision (B) events as a function of the magnitude and directionality of the HCCH and CCCC velocities. Green and red circles show trajectories that lead to the photoproduct or reactant formation, respectively. The brown lines show some examples for the change of dihedral angle directionality during the period between the hopping event (black circles) and the decision event. C. Schematic representation of the in-phase (diagram |) and out-of-phase (diagram ||) π-overlap across the C11-C12 bond. Notice that | would lead to a π-overlap (dark grey areas) increase favoring the product formation. Instead, || would favor the reactant back-formation.