Abstract

European Journal of Mass Spectrometry
Volume 15 Issue 2, Pages 315–324 (2009)
doi: 10.1255/ejms.972

Oxygen-containing diatomic dications in the gas phase

Jirí Fišer,^a Klaus Franzreb,^b Jan Lörinčík^c,d and Peter Williams^b,*
aFaculty of Science, Department of Physical and Macromolecular Chemistry, Charles University, Hlavova 2030, 128 40 Prague, Czech Republic
^bDepartment of Chemistry and Biochemistry, Arizona State University, Tempe, AZ 85287, USA. E-mail: pw@asu.edu
^cDepartment of Physics of the Faculty of Science, J.E. Purkyne University, Ceske mladeze 8, 400 96 Usti nad Labem, Czech Republic
^dInstitute of Photonics and Electronics, Academy of Sciences of the Czech Republic, Chaberska 57, 182 51 Praha 8, Czech Republic

A variety of oxygen-containing diatomic dications XO²⁺ can be produced in the gas phase by prolonged high-current ¹⁶O^– ion surface bombardment (oxygen ion beam sputtering) of a wide range of sample materials. These gas-phase species were detected by mass spectrometry at half-integer m/z values for ion flight times of the order of ~10–5 s. Examples provided here include ion mass spectra of AsO²⁺, GaO²⁺, SbO²⁺, AgO²⁺, CrO²⁺ and BeO²⁺. A detailed theoretical study of the diatomic dication system BeO²⁺ is also presented.

Keywords: diatomic dications, ab initio calculations, metastable gas-phase molecules, electronic structure determination, oxygen ion beam sputtering, mass spectrometry

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