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Symmetry-breaking dynamics of a photoionized carbon dioxide dimer.
- Source :
- Nature Communications; 7/26/2024, Vol. 15 Issue 1, p1-6, 6p
- Publication Year :
- 2024
-
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 C O 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<subscript>2h</subscript>) geometry of the neutral C O 2 dimer towards a T-shaped (C<subscript>2v</subscript>) structure on the ~100 fs timescale, although the most stable slipped-parallel (C<subscript>2h</subscript>) structure of the ionic dimer. Moreover, we find that excited states of the ionized C O 2 dimer can exhibit formation of a CO 3 moiety in the C 2 O 4 + complex that can persist even after a suitably time-delayed second photoionization in a metastable C 2 O 4 2 + dication. Our results suggest that charge asymmetry plays an important role in the ionization-induced dynamics in such dimers that are present in C O 2 rich environments. In a time-resolved Coulomb explosion imaging study using ultrafast extreme ultraviolet pulses, combined with theoretical simulations, authors reveal unexpected asymmetric rearrangement of carbon dioxide dimer ion, including a CO<subscript>3</subscript> moiety formation. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 20411723
- Volume :
- 15
- Issue :
- 1
- Database :
- Complementary Index
- Journal :
- Nature Communications
- Publication Type :
- Academic Journal
- Accession number :
- 178622342
- Full Text :
- https://doi.org/10.1038/s41467-024-50759-2