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

0567907 - FZÚ 2023 RIV DE eng J - Journal Article
Olsson, E. - Ayari, T. - Idebohn, V. - Wallner, M. - Squibb, R. - Andersson, J. - Roos, Andreas Hult - Stranges, S. - Dyke, J.M. - Eland, J.H.D. - Hochlaf, M. - Feifel, R.
An experimental and theoretical characterization of the electronic structure of doubly ionised disulfur.
Scientific Reports. Roč. 12, č. 1 (2022), č. článku 12236. ISSN 2045-2322. E-ISSN 2045-2322
Institutional support: RVO:68378271
Keywords : correlated molecular calculations * double photoionization spectra * gaussian-basis set * sphotoelectron-spectroscopy
OECD category: Particles and field physics
Impact factor: 4.6, year: 2022
Method of publishing: Open access

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 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.
Permanent Link: https://hdl.handle.net/11104/0339174