Fundamental Limits on Spatial Resolution in Ultrafast X-ray Diffraction
AbstractX-ray Free-Electron Lasers have made it possible to record time-sequences of diffraction images to determine changes in molecular geometry during ultrafast photochemical processes. Using state-of-the-art simulations in three molecules (deuterium, ethylene, and 1,3-cyclohexadiene), we demonstrate that the nature of the nuclear wavepacket initially prepared by the pump laser, and its subsequent dispersion as it propagates along the reaction path, limits the spatial resolution attainable in a structural dynamics experiment. The delocalization of the wavepacket leads to a pronounced damping of the diffraction signal at large values of the momentum transfer vector q, an observation supported by a simple analytical model. This suggests that high-q measurements, beyond 10–15 Å
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Kirrander, A.; Weber, P.M. Fundamental Limits on Spatial Resolution in Ultrafast X-ray Diffraction. Appl. Sci. 2017, 7, 534.
Kirrander A, Weber PM. Fundamental Limits on Spatial Resolution in Ultrafast X-ray Diffraction. Applied Sciences. 2017; 7(6):534.Chicago/Turabian Style
Kirrander, Adam; Weber, Peter M. 2017. "Fundamental Limits on Spatial Resolution in Ultrafast X-ray Diffraction." Appl. Sci. 7, no. 6: 534.
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