Core-Level Spectroscopy of 2-Thiouracil at the Sulfur L1- and L2,3-Edges Utilizing a SASE Free-Electron Laser

Lever, Fabiano; Mayer, Dennis; Metje, Jan; Alisauskas, Skirmantas; Calegari, Francesca; Düsterer, Stefan; Feifel, Raimund; Niebuhr, Mario; Manschwetus, Bastian; Kuhlmann, Marion; Mazza, Tommaso; Robinson, Matthew Scott; Squibb, Richard J.; Trabattoni, Andrea; Wallner, Måns; Wolf, Thomas J. A.; Gühr, Markus

doi:10.3390/molecules26216469

Title: Core-Level Spectroscopy of 2-Thiouracil at the Sulfur L₁- and L_2,3-Edges Utilizing a SASE Free-Electron Laser

Journal Article · 26 October 2021 · Molecules

DOI: https://doi.org/10.3390/molecules26216469 · OSTI ID:1828079

Lever, Fabiano ^[1];

^[1]; Metje, Jan ^[2]; Alisauskas, Skirmantas ^[2]; Calegari, Francesca ^[3]; Düsterer, Stefan ^[2]; Feifel, Raimund ^[4];

^[1]; Manschwetus, Bastian ^[2]; Kuhlmann, Marion ^[2]; Mazza, Tommaso ^[5]; Robinson, Matthew Scott ^[6]; Squibb, Richard J. ^[4];

^[2]; Wallner, Måns ^[4];

^[7]; Gühr, Markus ^[1]

Universität Potsdam (Germany)
Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)
Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Univ. of Hamburg (Germany)
Gothenburg University (Sweden)
European XFEL, Schenefeld (Germany)
Universität Potsdam (Germany); Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Univ. of Hamburg (Germany)
SLAC National Accelerator Lab., Menlo Park, CA (United States). Photon Ultrafast Laser Science and Engineering Inst. (PULSE)

In this paper, we report X-ray absorption and core-level electron spectra of the nucleobase derivative 2-thiouracil at the sulfur L₁- and L_2,3-edges. We used soft X-rays from the free-electron laser FLASH2 for the excitation of isolated molecules and dispersed the outgoing electrons with a magnetic bottle spectrometer. We identified photoelectrons from the 2p core orbital, accompanied by an electron correlation satellite, as well as resonant and non-resonant Coster–Kronig and Auger–Meitner emission at the L₁- and L_2,3-edges, respectively. We used the electron yield to construct X-ray absorption spectra at the two edges. The experimental data obtained are put in the context of the literature currently available on sulfur core-level and 2-thiouracil spectroscopy.

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Research Organization:: SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)

Sponsoring Organization:: Volkswagen Foundation; Federal Ministry of Education and Research (BMBF); German Research Foundation (DFG); USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division; European Research Council (ERC); Swedish Research Council (VR); Knut and Alice Wallenberg Foundation; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-76SF00515; GU 1478/1-1; 637756; NA

OSTI ID:: 1828079

Alternate ID(s):: OSTI ID: 1877676; OSTI ID: 1878586

Journal Information:: Molecules, Vol. 26, Issue 21; ISSN 1420-3049

Publisher:: MDPICopyright Statement

Country of Publication:: United States

Language:: English

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47 OTHER INSTRUMENTATION
X-ray
photoelectron
sulfur
thiouracil
nucleobases
Coster–Kronig
Auger–Meitner
NEXAFS
FLASH

Title: Core-Level Spectroscopy of 2-Thiouracil at the Sulfur L1- and L2,3-Edges Utilizing a SASE Free-Electron Laser

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Title: Core-Level Spectroscopy of 2-Thiouracil at the Sulfur L₁- and L_2,3-Edges Utilizing a SASE Free-Electron Laser