Ultrafast Valence-Electron Dynamics in Oxazole Monitored by X-ray Diffraction Following a Stimulated X-ray Raman Excitation.

Autor:	Yong H; Department of Chemistry, University of California, Irvine, California 92697, United States.; Department of Physics and Astronomy, University of California, Irvine, California 92697, United States., Cavaletto SM; Department of Chemistry, University of California, Irvine, California 92697, United States.; Department of Physics and Astronomy, University of California, Irvine, California 92697, United States., Mukamel S; Department of Chemistry, University of California, Irvine, California 92697, United States.; Department of Physics and Astronomy, University of California, Irvine, California 92697, United States.
Jazyk:	angličtina
Zdroj:	The journal of physical chemistry letters [J Phys Chem Lett] 2021 Oct 14; Vol. 12 (40), pp. 9800-9806. Date of Electronic Publication: 2021 Oct 04.
DOI:	10.1021/acs.jpclett.1c02740
Abstrakt:	Direct imaging of the ultrafast quantum motion of valence electrons in molecules is essential for understanding many elementary chemical and physical processes. We present a simulation study of valence-electron dynamics of oxazole. A valence-state electronic wavepacket is prepared with an attosecond soft X-ray pulse through a stimulated resonant X-ray Raman process and then probed with time-resolved off-resonant single-molecule X-ray diffraction. We find that the time dependent diffraction signal originates solely from the electronic coherences and can be detected by existing experimental techniques. We thus provide a feasible way of imaging electron dynamics in molecules. Moreover, the created electronic coherences and subsequent electron dynamics can be manipulated by the resonant X-ray Raman excitation tuned to different core-excited states.
Databáze:	MEDLINE
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