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| Home > Publications database > Unraveling the Relaxation Dynamics of Uracil: Insights from Time-Resolved X-ray Photoelectron Spectroscopy > print |
| 001 | 639647 | ||
| 005 | 20251119161939.0 | ||
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| 100 | 1 | _ | |a Faccialà, Davide |b 0 |
| 245 | _ | _ | |a Unraveling the Relaxation Dynamics of Uracil: Insights from Time-Resolved X-ray Photoelectron Spectroscopy |
| 260 | _ | _ | |a Washington, DC |c 2025 |b ACS Publications |
| 336 | 7 | _ | |a article |2 DRIVER |
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| 520 | _ | _ | |a We report a study of the electronic and nuclear relaxation dynamics of the photoexcited RNA base uracil in the gas phase using time-resolved core-level photoelectron spectroscopy together with high-level calculations. The dynamics was investigated by trajectory surface hopping calculations, and the core ionization energies were calculated for geometries sampled from these. The molecule was excited by a UV laser and dynamics probed on the oxygen, nitrogen, and carbon sites by core electron spectroscopy. We find that the main de-excitation channel of the initially excited S2(ππ*) state involves internal conversion to the S1(nπ*) state with a time constant of 17 ± 4 fs, while a portion of S2(ππ*) population returns directly to the ground state by internal conversion. We find no evidence that the S1(nπ*) state decays to the ground state; instead, it decays to triplet states with a time constant of 1.6 ± 0.4 ps. Oscillations of the S1(nπ*) state O 1s intensity as a function of time correlate with those of calculated C4═O8 and C5═C6 bond lengths, which undergo a sudden expansion following the initial π → π* excitation. Our calculations support our interpretation of the data and provide detailed insight into the relaxation processes of uracil. |
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| 536 | _ | _ | |a TR-AES - Theoretical beamlines to time-resolved ultrafast Auger electron spectroscopy (101027796) |0 G:(EU-Grant)101027796 |c 101027796 |f H2020-MSCA-IF-2020 |x 1 |
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| 700 | 1 | _ | |a Bonanomi, Matteo |b 1 |
| 700 | 1 | _ | |a Tenorio, Bruno Nunes Cabral |0 0000-0002-9702-998X |b 2 |
| 700 | 1 | _ | |a Avaldi, Lorenzo |b 3 |
| 700 | 1 | _ | |a Bolognesi, Paola |b 4 |
| 700 | 1 | _ | |a Callegari, Carlo |b 5 |
| 700 | 1 | _ | |a Coreno, Marcello |b 6 |
| 700 | 1 | _ | |a Coriani, Sonia |0 P:(DE-H253)PIP1095025 |b 7 |e Corresponding author |
| 700 | 1 | _ | |a Decleva, Piero |b 8 |
| 700 | 1 | _ | |a Devetta, Michele |b 9 |
| 700 | 1 | _ | |a Došlić, Nađa |0 0000-0001-6535-9020 |b 10 |e Corresponding author |
| 700 | 1 | _ | |a De Fanis, Alberto |b 11 |
| 700 | 1 | _ | |a Di Fraia, Michele |b 12 |
| 700 | 1 | _ | |a Lever, Fabiano |0 P:(DE-H253)PIP1087654 |b 13 |
| 700 | 1 | _ | |a Mazza, Tommaso |b 14 |
| 700 | 1 | _ | |a Meyer, Michael |b 15 |
| 700 | 1 | _ | |a Mullins, Terry |b 16 |
| 700 | 1 | _ | |a Ovcharenko, Yevheniy |b 17 |
| 700 | 1 | _ | |a Pal, Nitish |b 18 |
| 700 | 1 | _ | |a Piancastelli, Maria Novella |b 19 |
| 700 | 1 | _ | |a Richter, Robert |b 20 |
| 700 | 1 | _ | |a Rivas, Daniel E. |b 21 |
| 700 | 1 | _ | |a Sapunar, Marin |0 0000-0002-5717-1930 |b 22 |
| 700 | 1 | _ | |a Senfftleben, Björn |b 23 |
| 700 | 1 | _ | |a Usenko, Sergey |b 24 |
| 700 | 1 | _ | |a Vozzi, Caterina |b 25 |
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| 700 | 1 | _ | |a Prince, Kevin |0 P:(DE-H253)PIP1091774 |b 27 |e Corresponding author |
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| 773 | _ | _ | |a 10.1021/jacs.5c04874 |g Vol. 147, no. 34, p. 30694 - 30707 |0 PERI:(DE-600)1472210-0 |n 34 |p 30694 - 30707 |t Journal of the American Chemical Society |v 147 |y 2025 |x 0002-7863 |
| 856 | 4 | _ | |y OpenAccess |u https://bib-pubdb1.desy.de/record/639647/files/unraveling-the-relaxation-dynamics-of-uracil-insights-from-time-resolved-x-ray-photoelectron-spectroscopy%20%281%29.pdf |
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