Dynamic Effects on [3,3] and [1,3] Shifts of 6-Methylenebicyclo[3.2.0]hept-2-ene (original) (raw)

This research investigates the dynamic effects of [3,3] and [1,3] shifts in the thermal rearrangement of 6-methylenebicyclo[3.2.0]hept-2-ene. The study employs experimental methods, including deuterium labeling, along with DFT and ab initio calculations to explore the stereochemical outcomes and mechanisms involved in the rearrangement. Important findings reveal a preference for [1,3] shifts over [3,3] shifts, demonstrating the influence of diradical intermediates and isolating key transition states that delineate the product distribution.