University of Oulu

Tomasz J. Wasowicz, Antti Kivimäki, Daniele Catone, Robert Richter, Vacuum ultraviolet photoionization and ionic fragmentation of the isoxazole molecules, International Journal of Mass Spectrometry, Volume 449, 2020, 116276, ISSN 1387-3806,

Vacuum ultraviolet photoionization and ionic fragmentation of the isoxazole molecules

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Author: Wasowicz, Tomasz J.1; Kivimäki, Antti2,3; Catone, Daniele4;
Organizations: 1Department of Physics of Electronic Phenomena, Gdańsk University of Technology, Ul. G. Narutowicza 11/12, 80-233, Gdańsk, Poland
2Nano and Molecular Systems Research Unit, University of Oulu, P.O. Box 3000, 90014, Oulu, Finland
3MAX IV Laboratory, Lund University, P.O. Box 118, 22100, Lund, Sweden
4CNR-ISM, Division of Ultrafast Processes in Materials (FLASHit), Area Della Ricerca di Roma 2 Tor Vergata, Via Del Fosso Del Cavaliere 100, 00133, Rome, Italy
5Elettra – Sincrotrone Trieste, Area Science Park Basovizza, 34149, Trieste, Italy
Format: article
Version: accepted version
Access: open
Online Access: PDF Full Text (PDF, 1.1 MB)
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Language: English
Published: Elsevier, 2020
Publish Date: 2021-12-20


The photofragmentation of the isoxazole molecules producing ionized atomic and molecular fragments was investigated in the photon energy range of 9–32 eV, using synchrotron radiation excitation combined with ion time-of-flight spectrometry. Twenty-one well resolved cations were identified in the mass spectra of the isoxazole, and their appearance energies were determined. The yield curves of these cations were obtained in the photon energy ranges from their appearance energies up to 32 eV. Moreover, the total ion yield of isoxazole was recorded with high precision in the photon energy range of 9.9–10.5 eV. This allowed the determination of the adiabatic ionization energy of 9.96 (0.02) eV in excellent agreement with earlier spectroscopic studies. Our results show that the dissociative ionization of isoxazole starts from the ring-opening and isomerization of isoxazole, and further it follows strictly through its ionic states. Possible ionic fragmentation channels yielding particular ions are discussed.

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Series: International journal of mass spectrometry
ISSN: 1387-3806
ISSN-E: 1873-2798
ISSN-L: 1387-3806
Volume: 449
Article number: 116276
DOI: 10.1016/j.ijms.2019.116276
Type of Publication: A1 Journal article – refereed
Field of Science: 114 Physical sciences
Funding: We are grateful to the Elettra-Sincrotrone Trieste for providing beamtime no. 20165364. Staying of TJW in Elettra was in part financially supported by COST Action CM1204 XLIC (COST-STSM-CM1204-36527).
Copyright information: © 2019 Elsevier B.V. This manuscript version is made available under the CC-BY-NC-ND 4.0 license