SAMOP 2023 – scientific programme
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A: Fachverband Atomphysik
A 34: Ultrafast Dynamics III (joint session MO/A)
A 34.6: Talk
Friday, March 10, 2023, 15:45–16:00, F102
X-ray diffractive imaging of UV-induced ultrafast dynamics in CF2I2 — •Nidin Vadassery1,3, Sebastian Trippel1, 2, and Jochen Küpper1,2,3 — 1Center for Free-Electron Laser Science CFEL, Deutches Elektronen-Synchrotron DESY, Hamburg — 2Department of Physics, Universität Hamburg — 3Department of Chemistry, Universität Hamburg
Disentangling chemical dynamics, including the traversal of transition states, provides important insight into (bio)chemical processes. Roaming for example, a proposed ultrafast mechanism occurring in unimolecular photodissociation, follows an unusual reorientation motion after the excitation near bond dissociation energies [1]. Difluorodiiodomethane (CF2I2), has shown roaming mechanism following excitation with 350 nm light.
X-ray pulses generated at XFELs provide the opportunity to study such ultrafast rearrangements on the atomic scale with femtosecond resolution by diffractive imaging. Here, we present a computational proposal of the time-resolved coherent x-ray diffractive imaging of the photodissocaition of CF2I2 using CMIdiffract, an in-house python software to predict and analyze molecular-ensemble diffraction patterns[2]. We also detail efforts to produce a pure sample of CF2I2 using the electric deflector in the eCOMO end-station, in preparation for UV-pump x-ray-probe studies at EuXFEL.
[1] D. Townsend, et al., Science 306, 1158, (2004)
[2] J. Küpper, et al., Phys. Rev. Lett. 112, 083002, (2014), arXiv:1307.4577