Double and Triple Photoionization of CCl<sub>4</sub>

(1) Background: Fragmentation after double and triple photoionization of the CCl<sub>4</sub> molecule in the valence, Cl 2<i>p</i>, and C 1<i>s</i> regions have been reported; (2) Methods: We have used photoion-photoion (PIPICO) coincidence technique combined with...

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Main Authors: Antônio Carlos Fontes dos Santos, Joselito Barbosa Maciel, Alexandre Braga Rocha, Gerardo Gerson Bezerra de Souza
Format: Article
Language:English
Published: MDPI AG 2024-12-01
Series:Atoms
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Online Access:https://www.mdpi.com/2218-2004/12/12/74
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Summary:(1) Background: Fragmentation after double and triple photoionization of the CCl<sub>4</sub> molecule in the valence, Cl 2<i>p</i>, and C 1<i>s</i> 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<sup>+</sup> ion is the predominant product resulting from the fragmentation of the doubly and triply charged CCl<sub>4</sub> molecule. The CCl<sup>+</sup> + Cl<sup>+</sup> 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