Issue 4, 2000

Femtosecond dynamics of hydrogen elimination: benzene formation from cyclohexadiene

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.

Article information

Article type
Paper
Submitted
04 Oct 1999
Accepted
17 Jan 2000
First published
07 Feb 2000

Phys. Chem. Chem. Phys., 2000,2, 877-883

Femtosecond dynamics of hydrogen elimination: benzene formation from cyclohexadiene

S. De Feyter, E. W.-G. Diau and A. H. Zewail, Phys. Chem. Chem. Phys., 2000, 2, 877 DOI: 10.1039/A907979C

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