Journal Article

PUBDB-2024-05371

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Symmetry-breaking dynamics of a photoionized carbon dioxide dimer

Livshits, E. ; Bittner, D. M.Extern* ; Trost, F. ; Meister, S. ; Lindenblatt, H. ; Treusch, R.DESY* ; Gope, K. ; Pfeifer, T. ; Baer, R. (Corresponding author) ; Moshammer, R.Extern* ; Strasser, D. (Corresponding author)

2024
Nature Publishing Group UK [London]

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Please use a persistent id in citations: doi:10.1038/s41467-024-50759-2  doi:10.3204/PUBDB-2024-05371

Abstract: Photoionization can initiate structural reorganization of molecular matter and drive formation of new chemical bonds. Here, we used time-resolved extreme ultraviolet (EUV) pump – EUV probe Coulomb explosion imaging of carbon dioxide dimer ion $(CO_2)_2^+$dynamics, that combined with ab initio molecular dynamics simulations, revealed unexpected asymmetric structural rearrangement. We show that ionization by the pump pulse induces rearrangement from the slipped-parallel (C$_{2h}$) geometry of the neutral $CO_2$ dimer towards a T-shaped (C$_{2v}$) structure on the ~100 fs timescale, although the most stable slipped-parallel (C$_{2h}$) structure of the ionic dimer. Moreover, we find that excited states of the ionized $CO_2$ dimer can exhibit formation of a $CO_3$ moiety in the $CO_2O_4^+$ complex that can persist even after a suitably time-delayed second photoionization in a metastable $CO_2O_4^+$ dication. Our results suggest that charge asymmetry plays an important role in the ionization-induced dynamics in such dimers that are present in $C_2$ rich environments.

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Contributing Institute(s):

1. DOOR-User (DOOR ; HAS-User)
2. FLASH Wissenschaftlicher Nutzerbetrieb (FS-FLASH-O)

Research Program(s):

1. 631 - Matter – Dynamics, Mechanisms and Control (POF4-631) (POF4-631)
2. 6G2 - FLASH (DESY) (POF4-6G2) (POF4-6G2)
3. FS-Proposal: F-20191536 (F-20191536) (F-20191536)

Experiment(s):

1. FLASH2 Beamline FL26 (FLASH2)

Appears in the scientific report 2024

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