Double and Triple Photoionization of CCl4

• 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
• ISSN: 2218-2004
• DOI: 10.3390/atoms12120074

(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.