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

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.