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Title

The gas-phase chemiionization reaction between samarium and oxygen atoms: A theoretical study
Authors
Paulovic, Jozef
Gagliardi, Laura
Dyke, John M.
Hirao, Kimihiko
Published in Journal of Chemical Physics. 2004, vol. 120, no. 21, p. 9998-10001
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
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Article (Published version) - public document Free access
Structures
Faculté des sciences / Section de chimie et biochimie / Département de chimie physique
Research group Groupe Gagliardi
Citation
(ISO format) 		PAULOVIC, Jozef et al. The gas-phase chemiionization reaction between samarium and oxygen atoms: A theoretical study. In: Journal of Chemical Physics, 2004, vol. 120, n° 21, p. 9998-10001. https://archive-ouverte.unige.ch/unige:3321

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Deposited on : 2009-09-21

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