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Scientific article
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English

The gas-phase chemiionization reaction between samarium and oxygen atoms: A theoretical study

Published inThe Journal of chemical physics, vol. 120, no. 21, p. 9998-10001
Publication date2004
Abstract

The Sm + O chemiionization reaction has been investigated theoretically using a method that allows for correlation and relativistic effects. Potential energy curves have been calculated for several electronic states of SmO and SmO+. Comparison with available spectroscopic and thermodynamic values for these species is reported and a mechanism for the chemiionization reaction Sm + O is proposed. The importance of spin–orbit coupling in the excited states of SmO, in allowing this chemiionization reaction to take place, has been revealed by these calculations. This paper shows the metal-plus-oxidant chemiionization reaction.

Keywords
  • Atom-atom reactions
  • Ionisation
  • Samarium
  • Oxygen
  • Oxidation
  • Relativistic corrections
  • Potential energy surfaces
  • Spin-orbit interactions
  • Excited states
Research group
Citation (ISO format)
PAULOVIC, Jozef et al. The gas-phase chemiionization reaction between samarium and oxygen atoms: A theoretical study. In: The Journal of chemical physics, 2004, vol. 120, n° 21, p. 9998–10001. doi: 10.1063/1.1730034
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Article (Published version)
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Identifiers
ISSN of the journal0021-9606
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