SEARCH

SEARCH BY CITATION

Keywords:

  • diazocarbonyl compounds;
  • excited states;
  • non-adiabatic dynamics;
  • surface hopping;
  • Wolff rearrangement
Thumbnail image of graphical 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 (see scheme).