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Photoinduced Ultrafast Wolff Rearrangement: A Non-Adiabatic Dynamics Perspective

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http://pubman.mpdl.mpg.de/cone/persons/resource/persons58498

Cui,  Ganglong
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

http://pubman.mpdl.mpg.de/cone/persons/resource/persons59045

Thiel,  Walter
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Citation

Cui, G., & Thiel, W. (2013). Photoinduced Ultrafast Wolff Rearrangement: A Non-Adiabatic Dynamics Perspective. Angewandte Chemie International Edition: a journal of the Gesellschaft Deutscher Chemiker, 52(1), 433-436. doi:10.1002/anie.201207628.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0014-A436-F
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.