Vibrational Quantum-State-Controlled Reactivity in the O2+ + C3H4 Reaction
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arXiv
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| Autores principales: | , , , , , , , |
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| Formato: | Preprint |
| Publicado: |
2026
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| _version_ | 1866915794131091456 |
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| author | Zagorec-Marks, C. Kocheril, G. S. Kieft, T. Krohn, O. A. Martí, C. Softley, T. P. Zádor, J. Lewandowski, H. J. |
| author_facet | Zagorec-Marks, C. Kocheril, G. S. Kieft, T. Krohn, O. A. Martí, C. Softley, T. P. Zádor, J. Lewandowski, H. J. |
| contents | Quantum-state-controlled reactivity is a long-standing goal in the field of physical chemistry. In this work, we explore the vibrational-state-dependent behavior of the ion-molecule reaction between O2+ in distinct vibrational states and two isomers of C3H4, allene (H2C3H2) and propyne (H3C3H). While most products are formed regardless of the vibrational state of O2+, the branching ratios are influenced by vibrational excitation, and a new product, C2O+, appears exclusively in the excited-state reactions. This selective formation of C2O+ demonstrates that vibrational excitation can effectively activate a reaction pathway, providing direct evidence of quantum-state control in reactivity. These results represent an important step towards the goal of quantum-state-controlled chemistry in molecular systems. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2602_11397 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Vibrational Quantum-State-Controlled Reactivity in the O2+ + C3H4 Reaction Zagorec-Marks, C. Kocheril, G. S. Kieft, T. Krohn, O. A. Martí, C. Softley, T. P. Zádor, J. Lewandowski, H. J. Chemical Physics Quantum-state-controlled reactivity is a long-standing goal in the field of physical chemistry. In this work, we explore the vibrational-state-dependent behavior of the ion-molecule reaction between O2+ in distinct vibrational states and two isomers of C3H4, allene (H2C3H2) and propyne (H3C3H). While most products are formed regardless of the vibrational state of O2+, the branching ratios are influenced by vibrational excitation, and a new product, C2O+, appears exclusively in the excited-state reactions. This selective formation of C2O+ demonstrates that vibrational excitation can effectively activate a reaction pathway, providing direct evidence of quantum-state control in reactivity. These results represent an important step towards the goal of quantum-state-controlled chemistry in molecular systems. |
| title | Vibrational Quantum-State-Controlled Reactivity in the O2+ + C3H4 Reaction |
| topic | Chemical Physics |
| url | https://arxiv.org/abs/2602.11397 |