التفاصيل البيبلوغرافية
| العنوان: |
A Unified Experimental/Theoretical Description of the Ultrafast Photophysics of Single and Double Thionated Uracils. |
| المؤلفون: |
Teles‐Ferreira, Danielle Cristina, Conti, Irene, Borrego‐Varillas, Rocío, Nenov, Artur, Van Stokkum, Ivo H. M., Ganzer, Lucia, Manzoni, Cristian, Paula, Ana Maria, Cerullo, Giulio, Garavelli, Marco |
| المصدر: |
Chemistry - A European Journal; Jan2020, Vol. 26 Issue 1, p336-343, 8p |
| مصطلحات موضوعية: |
ABSORPTION spectra, URACIL derivatives, SPECTROMETRY, SULFUR, ABSORPTION |
| مستخلص: |
Photoinduced processes in thiouracil derivatives have lately attracted considerable attention due to their suitability for innovative biological and pharmacological applications. Here, sub‐20 fs broadband transient absorption spectroscopy in the near‐UV are combined with CASPT2/MM decay path calculations to unravel the excited‐state decay channels of water solvated 2‐thio and 2,4‐dithiouracil. These molecules feature linear absorption spectra with overlapping ππ* bands, leading to parallel decay routes which we systematically track for the first time. The results reveal that different processes lead to the triplet states population, both directly from the ππ* absorbing state and via the intermediate nπ* dark state. Moreover, the 2,4‐dithiouracil decay pathways is shown to be strongly correlated either to those of 2‐ or 4‐thiouracil, depending on the sulfur atom on which the electronic transition localizes. [ABSTRACT FROM AUTHOR] |
|
Copyright of Chemistry - A European Journal is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) |
| قاعدة البيانات: |
Complementary Index |
