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Accueil > Séminaires > Année 2018 > Séminaire d’Adam Kirrander (29 mai 2018)

Séminaire d’Adam Kirrander (29 mai 2018)

School of Chemistry, University of Edinburg, United Kingdom

par Martrenchard-Barra Séverine - 10 avril (modifié le 17 mai)

Ultrafast X-ray scattering : chemical dynamics and beyond

Ultrafast scattering using X-ray Free-Electron Lasers (XFELs) is an exciting development in AMO physics and chemical reaction dynamics [1]. The elastic component of the scattering provides a direct probe of structural dynamics, as demonstrated in recent experiments [2,3] (Fig. 1a). The experiments are supported by ab initio electronic structure calculations and quantum molecular dynamics simulations.

From a theoretical point of view, the standard expressions for X-ray scattering are modified by the quantum superposition inherent in ultrafast experiments [4]. I will demonstrate how the wavepacket limits the spatial resolution attainable in diffraction experiments [5] (see Fig. 1b), and discuss how interference effects might make it possible to characterize electronic transitions during nonadiabatic dynamics.

Fig. 1. (a) Scattering from 1,3-cyclohexadiene
Fig 1. (b) Scattering from a dispersing wavepacket in D2 molecule

[1] R. S. Minns, A. Kirrander, Faraday Disc. 194, 11 (2016)
[2] M. P. Minitti et al., Phys. Rev. Lett. 114 255501 (2015)
[3] B. Stankus et al., Faraday Disc. 194 525 (2016)
[4] A. Kirrander et al., J. Chem. Theory Comput. 12, 957 (2016)
[5] A. Kirrander, P. M. Weber, Applied Science 7, 534 (2017)

Séminaire d’Adam Kirrander - 189.7 ko

29 mai 2018