The inner-shell ionization and fragmentation of selenophene at 120 eV

The inner-shell ionization of selenophene at 120 eV produces a rich array of fragmentation dynamics, including many originating from Auger-Meitner processes. In this report, three-dimensional velocity-map imaging and covariance analysis were used to identify and characterize over 50 distinct selenophene fragmentation channels. The majority resulted in two or three 'heavy' products containing selenium or carbon, many of which had identical mass-to-charge ratios but different chemical compositions due to the degree of hydrogenation and the selenium isotope involved. Covariance analysis was used to isolate these reaction channels and to provide estimates of their relative yields. In combination with prior similar studies on thiophene and furan, the current results indicate that the nature of the heteroatom significantly influences the charge redistribution and bond cleavage dynamics induced by the Auger-Meitner process, and demonstrate the sensitivity of inner-shell ionization dynamics to the molecular and electronic structures of heterocyclic systems.

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Publication Details

Journal
Scientific Reports
Published
2026-02-17
DOI
https://doi.org/10.1038/s41598-026-39246-4
Primary Topic
Advanced Chemical Physics Studies
Type
article
Field-Weighted Citation Impact
0.00

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article

The inner-shell ionization and fragmentation of selenophene at 120 eV

Felix Allum, R. D. C. Forbes, M. Brouard, Emily M. Warne et al.
Scientific Reports
Advanced Chemical Physics Studies
article

The inner-shell ionization and fragmentation of selenophene at 120 eV

Felix Allum, R. D. C. Forbes, M. Brouard, Emily M. Warne, Johannes Niskanen, Edwin Kukk, James Unwin, Kiyonobu Nagaya, James Robert Harries, Yoshiaki Kumagai, Russell S. Minns, T. Gejo, Shigeki Owada, Ian Gabalski, Hiroshi Iwayama, Joseph McManus, Tiffany Walmsley, Shin-ichi WADA, Joanne L. Woodhouse, Paul Hockett, K. Ueda, J. P. Farrell, Sekito Nishimuro, James David Somper, Daniel Rolles, Mizuho Fushitani, Chow-shing Lam, Mathew Britton, Akinobu Niozu, Andrew J. Howard, Michael Burt, Weronika O. Razmus
article en

Abstract

The inner-shell ionization of selenophene at 120 eV produces a rich array of fragmentation dynamics, including many originating from Auger-Meitner processes. In this report, three-dimensional velocity-map imaging and covariance analysis were used to identify and characterize over 50 distinct selenophene fragmentation channels. The majority resulted in two or three 'heavy' products containing selenium or carbon, many of which had identical mass-to-charge ratios but different chemical compositions due to the degree of hydrogenation and the selenium isotope involved. Covariance analysis was used to isolate these reaction channels and to provide estimates of their relative yields. In combination with prior similar studies on thiophene and furan, the current results indicate that the nature of the heteroatom significantly influences the charge redistribution and bond cleavage dynamics induced by the Auger-Meitner process, and demonstrate the sensitivity of inner-shell ionization dynamics to the molecular and electronic structures of heterocyclic systems.

Scientific ReportsVol. 16(1)
Hiroshima University (JP), Tokyo Institute of Technology (JP), Rutherford Appleton Laboratory (GB), University of Turku (FI), University of Hyogo (JP), Kansas State University (US), Tohoku University (JP), Kyoto University (JP), Deutsches Elektronen-Synchrotron DESY (DE), SLAC National Accelerator Laboratory (US), University of Oxford (GB), SPring-8 (JP), Japan Synchrotron Radiation Research Institute (JP), National Institutes for Quantum Science and Technology (JP), Linac Coherent Light Source (US), Institute for Molecular Science (JP), National Research Council Canada (CA), University of Southampton (GB), Nagoya University (JP), Trent University (CA), University of California, Davis (US), Tokyo University of Agriculture and Technology (JP), Stanford University (US), Nara Women's University (JP)
National Science Foundation, U.S. Department of Energy, Alexander von Humboldt-Stiftung, UK Research and Innovation, Leverhulme Trust, University of Southampton, University of Oxford, Office of Science, Natural Sciences and Engineering Research Council of Canada, Engineering and Physical Sciences Research Council, Jesus College, University of Cambridge, Jesus College, University of Oxford, Japan Society for the Promotion of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division, SLAC National Accelerator Laboratory
Openalex Percentile: Top 51%
Advanced Chemical Physics Studies
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