Double and Triple Photoionization of CCl4

(1) Background: Fragmentation after double and triple photoionization of the CCl4 molecule in the valence, Cl 2p, and C 1s regions have been reported; (2) Methods: We have used photoion-photoion (PIPICO) coincidence technique combined with synchrotron radiation. In addition, ab initio quantum mechan...

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Bibliographic Details
Published in:Atoms 2024-12, Vol.12 (12), p.74
Main Authors: Antônio Carlos Fontes dos Santos, Joselito Barbosa Maciel, Alexandre Braga Rocha, Gerardo Gerson Bezerra de Souza
Format: Article
Language:English
Subjects:
CCl4
Chlorine
Configuration interaction
Electric fields
Energy
Fragmentation
Fragments
Geometry
Investigations
Kinetic energy
Photoionization
PIPICO
Quantum mechanics
Ratios
self-consistent and multireference configuration interaction
Symmetry
Synchrotron radiation
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Summary:(1) Background: Fragmentation after double and triple photoionization of the CCl4 molecule in the valence, Cl 2p, and C 1s regions have been reported; (2) Methods: We have used photoion-photoion (PIPICO) coincidence technique combined with synchrotron radiation. In addition, ab initio quantum mechanical calculations were done at multiconfigurational self-consistent and multireference configuration interaction to describe ground and inner-shell states; (3) Results: We have observed coincidences involving singly and doubly charged fragments coming from the doubly and triply ionized molecule. We have also found a well agreement between the quantum mechanical calculations and the total ion yield spectrum. It is shown that the Cl+ ion is the predominant product resulting from the fragmentation of the doubly and triply charged CCl4 molecule. The CCl+ + Cl+ pair is the dominant coincidence in the spectra from valence up to the C 1s edge; (4) Conclusions: The kinetic energy of the fragments is compatible with the Coulomb explosion model.
ISSN:2218-2004
DOI:10.3390/atoms12120074