دورية أكاديمية
A Unified Experimental/Theoretical Description of the Ultrafast Photophysics of Single and Double Thionated Uracils
| العنوان: | A Unified Experimental/Theoretical Description of the Ultrafast Photophysics of Single and Double Thionated Uracils |
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| المؤلفون: | Teles-Ferreira, Danielle Cristina, Conti, Irene, Borrego-Varillas, Rocío, Nenov, Artur, Van Stokkum, Ivo H.M., Ganzer, Lucia, Manzoni, Cristian, de Paula, Ana Maria, Cerullo, Giulio, Garavelli, Marco |
| المصدر: | Teles-Ferreira , D C , Conti , I , Borrego-Varillas , R , Nenov , A , Van Stokkum , I H M , Ganzer , L , Manzoni , C , de Paula , A M , Cerullo , G & Garavelli , M 2020 , ' A Unified Experimental/Theoretical Description of the Ultrafast Photophysics of Single and Double Thionated Uracils ' , Chemistry - A European Journal , vol. 26 , no. 1 , pp. 336-343 . https://doi.org/10.1002/chem.201904541Test |
| سنة النشر: | 2020 |
| مصطلحات موضوعية: | CASPT2, conical intersections, QM/MM, thiobases, transient absorption, ultrafast spectroscopy, /dk/atira/pure/sustainabledevelopmentgoals/clean_water_and_sanitation, name=SDG 6 - Clean Water and Sanitation |
| الوصف: | 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. |
| نوع الوثيقة: | article in journal/newspaper |
| وصف الملف: | application/pdf |
| اللغة: | English |
| العلاقة: | https://research.vu.nl/en/publications/abc9d6e4-e1ef-4d27-8479-059e9f7a4264Test |
| DOI: | 10.1002/chem.201904541 |
| الإتاحة: | https://doi.org/10.1002/chem.201904541Test https://research.vu.nl/en/publications/abc9d6e4-e1ef-4d27-8479-059e9f7a4264Test https://hdl.handle.net/1871.1/abc9d6e4-e1ef-4d27-8479-059e9f7a4264Test https://research.vu.nl/ws/files/103982850/A_Unified_Experimental_Theoretical_Description_of_the_Ultrafast_Photophysics_of_Single_and_Double_Thionated_Uracils.pdfTest http://www.scopus.com/inward/record.url?scp=85076512713&partnerID=8YFLogxKTest http://www.scopus.com/inward/citedby.url?scp=85076512713&partnerID=8YFLogxKTest |
| حقوق: | info:eu-repo/semantics/openAccess |
| رقم الانضمام: | edsbas.E070A01E |
| قاعدة البيانات: | BASE |
| DOI: | 10.1002/chem.201904541 |
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