Electronic dynamics created at conical intersections and its dephasing in aqueous solution
Fuente:
arXiv
Guardado en:
| Autores principales: | , , , , , , , , , , |
|---|---|
| Formato: | Preprint |
| Publicado: |
2024
|
| Materias: | |
| Acceso en línea: | |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
| _version_ | 1866916497657430016 |
|---|---|
| author | Chang, Yi-Ping Balciunas, Tadas Yin, Zhong Sapunar, Marin Tenorio, Bruno N. C. Paul, Alexander C. Tsuru, Shota Koch, Henrik Wolf, Jean Pierre Coriani, Sonia Wörner, Hans Jakob |
| author_facet | Chang, Yi-Ping Balciunas, Tadas Yin, Zhong Sapunar, Marin Tenorio, Bruno N. C. Paul, Alexander C. Tsuru, Shota Koch, Henrik Wolf, Jean Pierre Coriani, Sonia Wörner, Hans Jakob |
| contents | A dynamical rearrangement in the electronic structure of a molecule can be driven by different phenomena, including nuclear motion, electronic coherence or electron correlation. Recording such electronic dynamics and identifying their fate in aqueous solution has remained a challenge. Here, we reveal the electronic dynamics induced by electronic relaxation through conical intersections in pyrazine molecules using X-ray spectroscopy. We show that the ensuing created dynamics corresponds to a cyclic rearrangement of the electronic structure around the aromatic ring. Furthermore, we find that such electronic dynamics are entirely suppressed when pyrazine is dissolved in water. Our observations confirm that conical intersections can create electronic dynamics that are not directly excited by the pump pulse and that aqueous solvation can dephase them in less than 40 fs. These results have implications for the investigation of electronic dynamics created during light-induced molecular dynamics and shed light on their susceptibility to aqueous solvation. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2402_10508 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Electronic dynamics created at conical intersections and its dephasing in aqueous solution Chang, Yi-Ping Balciunas, Tadas Yin, Zhong Sapunar, Marin Tenorio, Bruno N. C. Paul, Alexander C. Tsuru, Shota Koch, Henrik Wolf, Jean Pierre Coriani, Sonia Wörner, Hans Jakob Chemical Physics Atomic and Molecular Clusters A dynamical rearrangement in the electronic structure of a molecule can be driven by different phenomena, including nuclear motion, electronic coherence or electron correlation. Recording such electronic dynamics and identifying their fate in aqueous solution has remained a challenge. Here, we reveal the electronic dynamics induced by electronic relaxation through conical intersections in pyrazine molecules using X-ray spectroscopy. We show that the ensuing created dynamics corresponds to a cyclic rearrangement of the electronic structure around the aromatic ring. Furthermore, we find that such electronic dynamics are entirely suppressed when pyrazine is dissolved in water. Our observations confirm that conical intersections can create electronic dynamics that are not directly excited by the pump pulse and that aqueous solvation can dephase them in less than 40 fs. These results have implications for the investigation of electronic dynamics created during light-induced molecular dynamics and shed light on their susceptibility to aqueous solvation. |
| title | Electronic dynamics created at conical intersections and its dephasing in aqueous solution |
| topic | Chemical Physics Atomic and Molecular Clusters |
| url | https://arxiv.org/abs/2402.10508 |