Gas-phase diatomic trications of Se23+, Te23+, and LaF3

• Published in: The Journal of chemical physics 2004-12, Vol.121 (24), p.12293-12302
• Main Authors: Franzreb, K., Hrušák, J., Alikhani, M. E., Lörinčı́k, J., Sobers, R. C., Williams, P.
• Format: Article
• Language: eng ; jpn
• ISSN: 0021-9606; 1089-7690
• DOI: 10.1063/1.1821496

Three gas-phase diatomic trications Se23+, Te23+, and LaF3+ have been produced by Ar+ ion beam sputtering of Se, Te, and LaF3 surfaces, respectively. These exotic molecular ions were detected at noninteger m/z values in a magnetic sector mass spectrometer for ion flight times of ⩾13 μs that correspond to lower limits of their respective lifetimes. Se23+ and Te23+ were unambiguously identified by their characteristic isotopic abundances. Ab initio calculations of the electronic structures of Se23+, Te23+, and LaF3+ show that these molecular trications are metastable with respect to dissociation into fragment ions of Se2++Se+, Te2++Te+, and La2++F+, respectively. Their barrier heights are about 0.49, 0.29, and 0.53 eV, and the equilibrium internuclear distances (bond lengths) are about 0.23, 0.27, and 0.26 nm, respectively. The gas-phase diatomic dications Se22+ and Te22+ were also observed and unambiguously identified. They were found to be long-lived metastable molecules as well, whereas LaF2+ is thermochemically stable.