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A theoretical and experimental study of the SO2(2+) dication
1Theoretical Chemistry Group, University of Marne-La-Vallée, Champs Sur Marne, F-77454, Marne-La-Vallée, 2, France. jochlaf@univ-mlv.fr
The Journal of Chemical Physics
|July 23, 2004
Summary
We measured the double photoionization spectrum of sulfur dioxide (SO2) and identified a specific electronic state. This research provides insights into the electronic structure of the SO2(2+) dication.
Area of Science:
- Physical Chemistry
- Atomic and Molecular Physics
- Quantum Chemistry
Background:
- Sulfur dioxide (SO2) is a molecule of significant environmental and industrial relevance.
- Understanding its electronic states, particularly multiply charged ions, is crucial for various chemical processes.
Purpose of the Study:
- To investigate the electronic structure of the SO2(2+) dication.
- To measure the double photoionization spectrum of SO2 and identify specific electronic states.
Main Methods:
- Time-of-flight photoelectron-photoion coincidence (TOF-PEPECO) spectroscopy was employed.
- Detailed electronic structure calculations were performed for comparison.
Main Results:
- A resolved band in the double photoionization spectrum was identified as the A 1A2 state of the SO2(2+) dication.
- The adiabatic ionization energy for this state was determined to be 35.284 ± 0.02 eV.
- Calculations suggest the ground state of SO2(2+) lies significantly lower in energy, accessible via nonvertical ionization pathways.
Conclusions:
- The A 1A2 state of SO2(2+) has been experimentally characterized.
- The findings highlight the complexity of SO2 double photoionization, involving both vertical and nonvertical transitions.