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| Home > Publications database > Direct observation of $ππ^*$ to $nπ^*$ transition in 2-thiouracil via time resolved NEXAFS spectroscopy |
| Journal Article | PUBDB-2024-01318 |
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2025
ACS
Washington, DC
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Please use a persistent id in citations: doi:10.1021/acs.jpclett.5c00544 doi:10.3204/PUBDB-2024-01318
Abstract: The photophysics of nucleobases has been the object of both theoretical and experimental studies over the past decades, due to the challenges posed by the non-BOA (Born-Oppenheimer Approximation) dynamics in their relaxation pathway. In this context, the ultrafast dynamics of 2-thiouracil has been investigated with a time-resolved NEXAFS study at the Free Electron Laser FLASH.We show that x-ray absorption spectroscopy can be used to observe electronic transitions in ultrafast molecular relaxation. We use a uv-pump / x-ray probe scheme to measure the changes induced by photoexcitation to the x-ray absorption at the sulfur 2s and 2p edges, identifying absorption features corresponding to the S2 (ππ*) and S1 (nπ*) electronic states. We observe a delay of 102 ± 11 fs in the population of the nπ* state with respect to the initial optical excitation. We furthermore identify the presence of coherent oscillations in the absorption signal that match a similar observation in our previous x-ray photoelectron spectroscopy study.
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