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Vacuum ultraviolet photoionization and ionic fragmentation of the isoxazole molecules

Wasowicz, Tomasz J. ; Kivimäki, Antti LU ; Catone, Daniele and Richter, Robert (2020) In International Journal of Mass Spectrometry 449.
Abstract

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... (More)

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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organization
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type
Contribution to journal
publication status
published
subject
in
International Journal of Mass Spectrometry
volume
449
article number
116276
publisher
Elsevier
external identifiers
  • scopus:85076860103
ISSN
1387-3806
DOI
10.1016/j.ijms.2019.116276
language
English
LU publication?
yes
id
950ce3f3-6b94-4465-b413-55a9dc6e06fc
date added to LUP
2020-01-02 13:14:24
date last changed
2022-04-18 19:38:46
@article{950ce3f3-6b94-4465-b413-55a9dc6e06fc,
  abstract     = {{<p>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.</p>}},
  author       = {{Wasowicz, Tomasz J. and Kivimäki, Antti and Catone, Daniele and Richter, Robert}},
  issn         = {{1387-3806}},
  language     = {{eng}},
  publisher    = {{Elsevier}},
  series       = {{International Journal of Mass Spectrometry}},
  title        = {{Vacuum ultraviolet photoionization and ionic fragmentation of the isoxazole molecules}},
  url          = {{http://dx.doi.org/10.1016/j.ijms.2019.116276}},
  doi          = {{10.1016/j.ijms.2019.116276}},
  volume       = {{449}},
  year         = {{2020}},
}