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Published December 1998 | public
Journal Article

Femtosecond dynamics of valence-bond isomers of azines: transition states and conical intersections


In this Letter, we report the ultrafast dynamics of isomerization and ring opening of azines, using femtosecond-resolved mass spectrometry. The experimental results and theoretical DFT/ab initio calculations elucidate the reaction mechanism and indicate the crucial role of conical intersections in driving these forbidden, ground-state processes. The global motion, initiated by fs wavepackets, is an important concept for nonradiative and reactive processes in polyatomics.

Additional Information

© 1998 Elsevier Science B.V. Received 18 September 1998; in final form 5 October 1998. Available online 9 December 1998. This work was supported by the Office of Naval Research and by the National Science Foundation. TMB, a Feodor Lynen Fellow from the Alexander von Humboldt Foundation, acknowledges the foundation and Caltech for support. SDF, a postdoctoral fellow of the Fund for Scientific Research – Flanders, acknowledges a Fulbright scholarship and financial support by the Katholieke Universiteit Leuven and by Caltech. We thank Professor E.C. Lim for helpful discussion and Professor J. Michl for valuable insights and wonderful books.

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