title: Photoinduced ultrafast Wolff rearrangement: a non-adiabatic dynamics perspective.
abstract: One reaction, two routes: full-dimensional non-adiabatic dynamics simulations shed light on the ultrafast photoinduced Wolff rearrangement in an α-diazocarbonyl compound. The trajectories show both concerted asynchronous and stepwise processes leading to the corresponding ketene.
authors.affiliation: Max-Planck-Institut für Kohlenforschung, Mülheim an der Ruhr, Germany.
authors.forename: Ganglong
authors.initials: G
authors.lastname: Cui
authors.forename: Walter
authors.initials: W
authors.lastname: Thiel
mesh_terms: D001391:Azo Compounds / Q000737:chemistry*; D003500:Cyclization; D007700:Kinetics; D056004:Molecular Dynamics Simulation; D015394:Molecular Structure; D009285:Naphthoquinones / Q000737:chemistry*; D055668:Photochemical Processes
chemical_list: D001391:Azo Compounds; D009285:Naphthoquinones