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Volume 171, 2014
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Toward structural femtosecond chemical dynamics: imaging chemistry in space and time

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Abstract

We aim to observe a chemical reaction in real time using gas-phase X-ray diffraction. In our initial experiment at the Linac Coherent Light Source (LCLS), we investigated the model system 1,3-cyclohexadiene (CHD) at very low vapor pressures. This reaction serves as a benchmark for numerous transformations in organic synthesis and natural product biology. Excitation of CHD by an ultraviolet optical pulse initiates an electrocyclic reaction that transforms the closed ring system into the open-chain structure of 1,3,5-hexatriene. We describe technical points of the experimental method and present first results. We also outline an approach to analyze the data involving nonlinear least-square optimization routines that match the experimental observations with predicted diffraction patterns calculated from trajectories for nonadiabatic vibronic wave packets.

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Publication details

The article was received on 04 Mar 2014, accepted on 28 Apr 2014 and first published on 07 Aug 2014


Article type: Paper
DOI: 10.1039/C4FD00030G
Author version available: Download Author version (PDF)
Citation: Faraday Discuss., 2014,171, 81-91
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    Toward structural femtosecond chemical dynamics: imaging chemistry in space and time

    M. P. Minitti, J. M. Budarz, A. Kirrander, J. Robinson, T. J. Lane, D. Ratner, K. Saita, T. Northey, B. Stankus, V. Cofer-Shabica, J. Hastings and P. M. Weber, Faraday Discuss., 2014, 171, 81
    DOI: 10.1039/C4FD00030G

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