Rehybridization dynamics into the pericyclic minimum of an electrocyclic reaction imaged in real-time.

ABSTRACT: Electrocyclic reactions are characterized by the concerted formation and cleavage of both σ and π bonds through a cyclic structure. This structure is known as a pericyclic transition state for thermal reactions and a pericyclic minimum in the excited state for photochemical reactions. However, the structure of the pericyclic geometry has yet to be observed experimentally. We use a combination of ultrafast electron diffraction and excited state wavepacket simulations to image structural dynamics through the pericyclic minimum of a photochemical electrocyclic ring-opening reaction in the molecule α-terpinene. The structural motion into the pericyclic minimum is dominated by rehybridization of two carbon atoms, which is required for the transformation from two to three conjugated π bonds. The

SUBMITTER: Liu Y 

PROVIDER: S-EPMC10195774 | biostudies-literature | 2023 May

REPOSITORIES: biostudies-literature