Calculated absolute cross section for the electron-impact ionisation of simple molecular ions

H. Deutsch, K. Becker, P. Defrance, U. Onthong, M. Probst, S. Matt, P. Scheier, T. D. Märk

Research output: Contribution to journalArticle

Abstract

We report the results of the application of the semi-classical Deutsch-Märk (DM) formalism to the calculation of the absolute electron-impact ionisation cross section of the molecular ions H2 +, N2 +, O2 +, CD+, CO+, CO2 +, H3O+/D3O+, and CD4 + for which experimental data have been reported. Where available, we also compare our calculated cross sections with calculated cross sections using the BEB method. The level of agreement between the experimentally determined and the calculated cross section is satisfactory only in a few cases. In most cases, the calculated cross sections exceed the measured cross sections, in some cases significantly, which is not surprising in view of the experimental complications in measuring ionisation cross sections of molecular ions due to the presence of competing channels for the formation of fragment ions such as dissociative excitation versus dissociative ionisation.

Original languageEnglish (US)
Pages (from-to)639-646
Number of pages8
JournalInternational Journal of Mass Spectrometry
Volume223-224
DOIs
StatePublished - Jan 15 2003

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Impact ionization
molecular ions
electron impact
Ions
ionization
Ionization
Electrons
cross sections
ionization cross sections
Carbon Monoxide
fragments
formalism
excitation
ions

Keywords

  • Cross section calculations
  • Electron-impact ionisation
  • Molecular ions

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy

Cite this

Calculated absolute cross section for the electron-impact ionisation of simple molecular ions. / Deutsch, H.; Becker, K.; Defrance, P.; Onthong, U.; Probst, M.; Matt, S.; Scheier, P.; Märk, T. D.

In: International Journal of Mass Spectrometry, Vol. 223-224, 15.01.2003, p. 639-646.

Research output: Contribution to journalArticle

Deutsch, H. ; Becker, K. ; Defrance, P. ; Onthong, U. ; Probst, M. ; Matt, S. ; Scheier, P. ; Märk, T. D. / Calculated absolute cross section for the electron-impact ionisation of simple molecular ions. In: International Journal of Mass Spectrometry. 2003 ; Vol. 223-224. pp. 639-646.
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AU - Becker, K.

AU - Defrance, P.

AU - Onthong, U.

AU - Probst, M.

AU - Matt, S.

AU - Scheier, P.

AU - Märk, T. D.

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AB - We report the results of the application of the semi-classical Deutsch-Märk (DM) formalism to the calculation of the absolute electron-impact ionisation cross section of the molecular ions H2 +, N2 +, O2 +, CD+, CO+, CO2 +, H3O+/D3O+, and CD4 + for which experimental data have been reported. Where available, we also compare our calculated cross sections with calculated cross sections using the BEB method. The level of agreement between the experimentally determined and the calculated cross section is satisfactory only in a few cases. In most cases, the calculated cross sections exceed the measured cross sections, in some cases significantly, which is not surprising in view of the experimental complications in measuring ionisation cross sections of molecular ions due to the presence of competing channels for the formation of fragment ions such as dissociative excitation versus dissociative ionisation.

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