Journal Article

PUBDB-2024-05957

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Convergent-beam attosecond x-ray crystallography

Chapman, H. N. (Corresponding author)CFEL*XFEL.EU*DESY* ; Li, C.CFEL*XFEL.EU*DESY* ; Bajt, S.CFEL*XFEL.EU*DESY* ; Butola, M.CFEL*Extern*DESY* ; Dresselhaus, J. L.CFEL*Extern* ; Egorov, D.CFEL*DESY* ; Fleckenstein, H.CFEL*XFEL.EU*DESY* ; Ivanov, N.CFEL*Extern*XFEL.EU*DESY* ; Kiene, A.CFEL*Extern*DESY* ; Klopprogge, B.CFEL*Extern* ; Kremling, V.Extern* ; Middendorf, P.CFEL*DESY* ; Oberthür, D.CFEL*XFEL.EU*DESY* ; Prasciolu, M.CFEL*XFEL.EU*DESY* ; Scheer, T. E. S.CFEL*DESY* ; Sprenger, J.CFEL*DESY* ; Wong, J. C.CFEL* ; Yefanov, O.CFEL*XFEL.EU*DESY* ; Zakharova, M.CFEL*DESY* ; Zhang, W.CFEL*DESY*

2025
AIP Publishing LLC Melville, NY

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Please use a persistent id in citations: doi:10.1063/4.0000275  doi:10.3204/PUBDB-2024-05957

Abstract: Sub-ångström spatial resolution of electron density coupled with sub-femtosecond temporal resolution is required to directly observe the dynamics of the electronic structure of a molecule after photoinitiation or some other ultrafast perturbation. Meeting this challenge, pushing the field of quantum crystallography to attosecond timescales, would bring insights into how the electronic and nuclear degrees of freedom couple, enable the study of quantum coherences involved in molecular dynamics, and ultimately enable these dynamics to be controlled. Here we propose to reach this realm by employing convergent-beam X-ray crystallography with high- power attosecond pulses from a hard-X-ray free-electron laser. We show that with dispersive optics, such as multilayer Laue lenses of high numerical aperture, it becomes possible to encode time into the resulting diffraction pattern with deep sub-femtosecond precision. Each snapshot diffraction pattern consists of Bragg streaks that can be mapped back to arrival times and positions of X-rays on the face of a crystal. This can span tens of femtoseconds, and can be finely sampled as we demonstrate experimentally. The approach brings several other advantages, such as an increase of the number of observable reflections in a snapshot diffraction pattern, all fully integrated, to improve the speed and accuracy of serial crystallography—especially for crystals of small molecules.

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Contributing Institute(s):

1. FS-CFEL-1 (Group Leader: Henry Chapman) (CFEL-I)
2. FS-ML (CFEL-XOM)

Research Program(s):

1. 633 - Life Sciences – Building Blocks of Life: Structure and Function (POF4-633) (POF4-633)
2. DFG project G:(GEPRIS)390715994 - EXC 2056: CUI: Advanced Imaging of Matter (390715994) (390715994)
3. FS-Proposal: I-20231166 (I-20231166) (I-20231166)

Experiment(s):

1. PETRA Beamline P11 (PETRA III)

Appears in the scientific report 2025

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