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

6533b7d8fe1ef96bd126a4a8

RESEARCH PRODUCT

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

Laura Gagliardi John M. Dyke Jozef Paulovič Kimihiko Hirao

subject

Samarium Excited states General Physics and Astronomy chemistry.chemical_element Relativistic corrections Potential energy Oxygen Oxygen Samarium Atom-atom reactions Oxygen atom chemistry Potential energy surfaces Excited state Ionization ddc:540 Oxidation Spin-orbit interactions Physical and Theoretical Chemistry Atomic physics Relativistic quantum chemistry Chain reaction Ionisation

description

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.

year	journal	country	edition	language
2004-06-01	The Journal of Chemical Physics

https://doi.org/10.1063/1.1730034

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