An experimental and theoretical characterization of the electronic structure of doubly ionised disulfur

Emelie Olsson (1) , Tarek Ayari (2) , Veronica Ideböhn (1) , Måns Wallner (1) , Richard Squibb (1) , Jonas Andersson (1) , Andreas Hult Roos (1) , Stefano Stranges (3) , John Dyke (4) , John Eland (5) , Majdi Hochlaf (2) , Raimund Feifel (1)

1 Department of Physics [Gothenburg]
2 COSYS-IMSE - Instrumentation, Modélisation, Simulation et Expérimentation
3 IOM CNR - Laboratorio TASC
4 School of Chemistry, University of Southampton
5 Department of Chemistry, Physical and Theoretical Chemistry Laboratory, Oxford University

Abstract Using time-of-flight multiple electron and ion coincidence techniques in combination with a helium gas discharge lamp and synchrotron radiation, the double ionisation spectrum of disulfur (S 2 ) and the subsequent fragmentation dynamics of its dication are investigated. The S 2 sample was produced by heating mercury sulfide (HgS), whose vapour at a suitably chosen temperature consists primarily of two constituents: S 2 and atomic Hg. A multi-particle-coincidence technique is thus particularly useful for retrieving spectra of S $$_2$$ 2 from ionisation of the mixed vapour. The results obtained are compared with detailed calculations of the electronic structure and potential energy curves of S 2 2 + which are also presented. These computations are carried out using configuration interaction methodology. The experimental results are interpreted with and strongly supported by the computational results.

Domaines: Chimie

Emelie Olsson, Tarek Ayari, Veronica Ideböhn, Måns Wallner, Richard Squibb, et al.. An experimental and theoretical characterization of the electronic structure of doubly ionised disulfur. Scientific Reports, 2022, 12 (1), pp.12236. ⟨10.1038/s41598-022-16327-8⟩. ⟨hal-04415067⟩