Electric field–catalyzed single-molecule Diels-Alder reaction dynamics
Chen Yang, Zitong Liu, Yanwei Li, Shuyao Zhou, Chenxi Lu, Yilin Guo, Melissa Ramirez, Qingzhu Zhang, Yu Li, Zhirong Liu, K. N. Houk, Deqing Zhang, Xuefeng Guo
Abstract
configurations on the reaction path. An unprecedented stepwise pathway was verified at high temperatures in a high-voltage electric field. Experiments and theoretical results revealed an electric field-catalyzed mechanism that shows the presence of a zwitterionic intermediate with one bond formation and variation of concerted and stepwise reactions by the strength of the electric field, thus establishing a previously unidentified approach for mechanistic control by electric field catalysis.
Topics & Concepts
Diels–Alder reactionCatalysisAlderElectric fieldDynamics (music)MoleculeChemistryComputational chemistryChemical physicsOrganic chemistryPhysicsBiologyEcologyAcousticsQuantum mechanicsMolecular Junctions and NanostructuresSurface Chemistry and CatalysisAdvanced Chemical Physics Studies