A molecular dynamics simulation reveals the occurrence of nonstatistical dynamical effects in the ring-opening and subsequent [1,5] H migration of bicyclo[2.1.0]pent-2-ene. The symptoms of the effects do not show up in the overall kinetics or product branching ratios of the reaction, which are well explained by a master-equation analysis, but in an oscillatory preference for migration of the two methylene hydrogens. It is predicted that these oscillations could have an observable effect on final product ratios in isotopically labeled analogues, and that the effect might be greater in certain solvents than in the gas phase.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.