Photoinduced ultrafast Wolff rearrangement: a non-adiabatic dynamics perspective

Ganglong Cui; Walter Thiel

doi:10.1002/anie.201207628

Photoinduced ultrafast Wolff rearrangement: a non-adiabatic dynamics perspective

Angew Chem Int Ed Engl. 2013 Jan 2;52(1):433-6. doi: 10.1002/anie.201207628. Epub 2012 Dec 4.

Authors

Ganglong Cui¹, Walter Thiel

Affiliation

¹ Max-Planck-Institut für Kohlenforschung, Mülheim an der Ruhr, Germany.

PMID: 23212961
DOI: 10.1002/anie.201207628

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.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Azo Compounds / chemistry*
Cyclization
Kinetics
Molecular Dynamics Simulation
Molecular Structure
Naphthoquinones / chemistry*
Photochemical Processes

Substances

Azo Compounds
Naphthoquinones