Single-Photon Double Ionization of Ozone
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arXiv
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| Main Authors: | , , , , , , , , , , , , , , , |
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| Format: | Preprint |
| Published: |
2026
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| _version_ | 1866910209561067520 |
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| author | Ideböhn, Veronica Daver Gloriod, Antoine Squibb, Richard J. Roos, Andreas Hult Behera, Nihar Ranjan Kanungo, Ishita Gustafsson, Elias Gällblad, Simon Berglund, Saga Olsson, Emelie Öhrwall, Gunnar Nyman, Gunnar Dyke, John M. Eland, John H. D. Hochlaf, Majdi Feifel, Raimund |
| author_facet | Ideböhn, Veronica Daver Gloriod, Antoine Squibb, Richard J. Roos, Andreas Hult Behera, Nihar Ranjan Kanungo, Ishita Gustafsson, Elias Gällblad, Simon Berglund, Saga Olsson, Emelie Öhrwall, Gunnar Nyman, Gunnar Dyke, John M. Eland, John H. D. Hochlaf, Majdi Feifel, Raimund |
| contents | Ozone (O3) is a triatomic molecule of central importance in the chemistry and physics of the Earth's and other planetary atmospheres. Beyond its environmental significance, a detailed understanding of the electronic structure and ionization dynamics of ozone is essential for modeling atmospheric, ionospheric, and astrochemical processes. In the present work, we substantially extend the experimental and theoretical characterization of ozone into the regime of valence double photoionization. Using HeII-alpha, HeII-beta, and higher-energy vacuum ultraviolet radiation in combination with a versatile multiple charged-particle correlation detection technique, we report the first single-photon valence double ionization electron spectrum of O3. To interpret the experimental observations, we mapped the lowest potential energy surfaces of dicationic ozone employing post-Hartree-Fock multi-configurational-interaction methods, and computed with high accuracy the energetics of the relevant dissociation channels. Our results demonstrate that dissociative double ionization of ozone produces electronically excited cationic atomic oxygen fragments in addition to the ground-state dissociation pathway, revealing a richer fragmentation dynamics than hitherto recognized. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2605_10918 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Single-Photon Double Ionization of Ozone Ideböhn, Veronica Daver Gloriod, Antoine Squibb, Richard J. Roos, Andreas Hult Behera, Nihar Ranjan Kanungo, Ishita Gustafsson, Elias Gällblad, Simon Berglund, Saga Olsson, Emelie Öhrwall, Gunnar Nyman, Gunnar Dyke, John M. Eland, John H. D. Hochlaf, Majdi Feifel, Raimund Atomic and Molecular Clusters Chemical Physics Ozone (O3) is a triatomic molecule of central importance in the chemistry and physics of the Earth's and other planetary atmospheres. Beyond its environmental significance, a detailed understanding of the electronic structure and ionization dynamics of ozone is essential for modeling atmospheric, ionospheric, and astrochemical processes. In the present work, we substantially extend the experimental and theoretical characterization of ozone into the regime of valence double photoionization. Using HeII-alpha, HeII-beta, and higher-energy vacuum ultraviolet radiation in combination with a versatile multiple charged-particle correlation detection technique, we report the first single-photon valence double ionization electron spectrum of O3. To interpret the experimental observations, we mapped the lowest potential energy surfaces of dicationic ozone employing post-Hartree-Fock multi-configurational-interaction methods, and computed with high accuracy the energetics of the relevant dissociation channels. Our results demonstrate that dissociative double ionization of ozone produces electronically excited cationic atomic oxygen fragments in addition to the ground-state dissociation pathway, revealing a richer fragmentation dynamics than hitherto recognized. |
| title | Single-Photon Double Ionization of Ozone |
| topic | Atomic and Molecular Clusters Chemical Physics |
| url | https://arxiv.org/abs/2605.10918 |