Title: Femtosecond dynamics of hydrogen elimination: benzene formation from cyclohexadiene
Authors: De Feyter, Steven ×
Diau, EWG
Zewail, AH #
Issue Date: Jan-2000
Publisher: Royal soc chemistry
Series Title: Physical Chemistry Chemical Physics vol:2 issue:4 pages:877-883
Abstract: Using femtosecond-resolved mass spectrometry in a molecular beam, we report real-time study of the hydrogen elimination reaction of 1,4-cyclohexadiene. The experimental observation of the ultrafast stepwise H-elimination elucidates the reaction dynamics and mechanism. With density-functional theory (ground-state) calculations, the nature of the reaction (multiple) pathways is examined. With the help of recent conical-intersection calculations, the excited-state and ground-state pathways are correlated. From these experimental and theoretical results we provide a unifying picture of the thermochemistry, photochemistry and the stereochemistry observed in the condensed phase.
ISSN: 1463-9076
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Molecular Imaging and Photonics
× corresponding author
# (joint) last author

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