Intersystem crossing in thiobases proceeds by a dark intermediate state
| Autor: | Lucia Ganzer, Artur Nenov, Marco Garavelli, Irene Conti, Giulio Cerullo, Barbara E. Nogueira de Faria, Danielle Cristina Teles-Ferreira, Ana M. de Paula, Rocio Borrego-Varillas, Cristian Manzoni, Sandro De Silvestri |
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| Přispěvatelé: | Cerullo, G., Teles-Ferreira, Danielle Cristina, Borrego-Varillas, Rocio, Ganzer, Lucia, Nogueira Faria, Barbara Elza, Manzoni, Cristian, De Silvestri, Sandro, Nenov, Artur, Conti, Irene, Garavelli, Marco, Cerullo, Giulio, de Paula, Ana Maria |
| Jazyk: | angličtina |
| Rok vydání: | 2019 |
| Předmět: |
Materials science
010308 nuclear & particles physics Physics QC1-999 01 natural sciences Molecular physics Intersystem crossing thiobases QM/MM conical intersections Intersystem crossing 0103 physical sciences Ultrafast laser spectroscopy Relaxation (physics) Intermediate state 010306 general physics Spectroscopy |
| Zdroj: | EPJ Web of Conferences, Vol 205, p 10005 (2019) |
| Popis: | 4-thiouracil (4TU) is studied by transient absorption spectroscopy employing sub-20 fs UV-pulses and hybrid QM(CASPT2) / MM(AMBER) computations (static and dynamic), evidencing that, along the photoexcited relaxation pathway, intersystem crossing originates from a dark intermediate state. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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