Photoinduced Ultrafast Wolff Rearrangement: A Non-Adiabatic Dynamics Perspective


  • G.L. is grateful for financial support from the Alexander von Humboldt Foundation.


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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 (see scheme).