التفاصيل البيبلوغرافية
| العنوان: |
Intersystem crossing in thiobases proceeds by a dark intermediate state. |
| المؤلفون: |
Teles-Ferreira, Danielle Cristina1, Borrego-Varillas, Rocio2, Ganzer, Lucia2, Nogueira Faria, Barbara Elza1, Manzoni, Cristian2, De Silvestri, Sandro2, Nenov, Artur3, Conti, Irene3, Garavelli, Marco3 ana@fisica.ufmg.br, Cerullo, Giulio2 ana@fisica.ufmg.br, de Paula, Ana Maria1 ana@fisica.ufmg.br, Cerullo, G., Ogilvie, J., Kärtner, F., Khalil, M., Li, R. |
| المصدر: |
EPJ Web of Conferences. 2019, Vol. 205, pN.PAG-N.PAG. 3p. |
| مصطلحات موضوعية: |
*THIOURACIL, *INTERSYSTEM crossing (Chemistry), *INTERMEDIATES (Chemistry), *COMPUTATIONAL chemistry, *PHOTOEXCITATION |
| مستخلص: |
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. [ABSTRACT FROM AUTHOR] |
| قاعدة البيانات: |
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