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

Zhong, Dongping and Diau, Eric W.-G. and Bernhardt, Thorsten M and De Feyter, Steven and Roberts, John D. and Zewail, Ahmed H. (1998) Femtosecond dynamics of valence-bond isomers of azines: transition states and conical intersections. Chemical Physics Letters, 298 (1-3). pp. 129-140. ISSN 0009-2614. doi:10.1016/S0009-2614(98)01160-9.

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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.

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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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Office of Naval Research (ONR)UNSPECIFIED
Alexander von Humboldt FoundationUNSPECIFIED
Fonds Wetenschappelijk Onderzoek - Vlaanderen (FWO)UNSPECIFIED
Fulbright FoundationUNSPECIFIED
Katholieke Universiteit LeuvenUNSPECIFIED
Issue or Number:1-3
Record Number:CaltechAUTHORS:20151001-101404919
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Official Citation:Dongping Zhong, Eric W.-G Diau, Thorsten M Bernhardt, Steven De Feyter, John D Roberts, Ahmed H Zewail, Femtosecond dynamics of valence-bond isomers of azines: transition states and conical intersections, Chemical Physics Letters, Volume 298, Issues 1–3, 11 December 1998, Pages 129-140, ISSN 0009-2614, (
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ID Code:60660
Deposited By: Ruth Sustaita
Deposited On:01 Oct 2015 21:31
Last Modified:10 Nov 2021 22:37

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