Double and Triple Photoionization of CCl4

被引:0
|
作者
dos Santos, Antonio Carlos Fontes [1 ]
Maciel, Joselito Barbosa [2 ]
Rocha, Alexandre Braga [2 ]
de Souza, Gerardo Gerson Bezerra [2 ]
机构
[1] Univ Fed Rio de Janeiro, Inst Fis, BR-21941972 Rio De Janeiro, RJ, Brazil
[2] Univ Fed Rio de Janeiro, Inst Quim, BR-21949900 Rio De Janeiro, RJ, Brazil
关键词
CCl4; PIPICO; self-consistent and multireference configuration interaction; SHELL CL 2P; OSCILLATOR-STRENGTHS; MASS-SPECTROMETRY; DOUBLE-IONIZATION; VALENCE; EXCITATION;
D O I
10.3390/atoms12120074
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
(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.
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页数:9
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