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

Dongping Zhong, Wei-Guang Diau, Thorsten M. Bernhardt, Steven De Feyter, John D. Roberts, Ahmed H. Zewail*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

65 Scopus citations

Abstract

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.

Original languageEnglish
Pages (from-to)129-140
Number of pages12
JournalChemical Physics Letters
Volume298
Issue number1-3
DOIs
StatePublished - 11 Dec 1998

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