Evidence map›Paper›PMID 39994312›Full record

ArticleScientific reports2025

Characterization of the electronic structure and fate of doubly ionized carbon diselenide.

Marco Parriani, Emelie Olsson, Veronica Daver Ideböhn, Måns Wallner, Richard J Squibb, Gunnar Nyman, Stefano Falcinelli, John H D Eland, Majdi Hochlaf, Raimund Feifel

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Article in Scientific reports, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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4 · The record

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5 · Who and what money

Authors and funding

10 authors.

Marco Parriani *Department of Civil and Environmental Engineering, University of Perugia, Via G. Duranti 93, 06125, Perugia, Italy.
Emelie Olsson *Department of Physics, University of Gothenburg, Origovägen 6B, 412 58, Gothenburg, Sweden.
Veronica Daver IdeböhnDepartment of Physics, University of Gothenburg, Origovägen 6B, 412 58, Gothenburg, Sweden.
Måns WallnerDepartment of Physics, University of Gothenburg, Origovägen 6B, 412 58, Gothenburg, Sweden.
Richard J SquibbDepartment of Physics, University of Gothenburg, Origovägen 6B, 412 58, Gothenburg, Sweden.
Gunnar NymanDepartment of Chemistry and Molecular Biology, University of Gothenburg, Box 462, 405 30, Gothenburg, Sweden.
Stefano FalcinelliDepartment of Civil and Environmental Engineering, University of Perugia, Via G. Duranti 93, 06125, Perugia, Italy.
John H D ElandDepartment of Chemistry, Physical and Theoretical Chemistry Laboratory, Oxford University, South Parks Road, Oxford, OX1 3QZ, UK.
Majdi HochlafUniversité Gustave Eiffel, COSYS/IMSE, 5 Bd Descartes, 77454, Champs sur Marne, France. majdi.hochlaf@univ-eiffel.fr.
Raimund FeifelDepartment of Physics, University of Gothenburg, Origovägen 6B, 412 58, Gothenburg, Sweden. raimund.feifel@physics.gu.se.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Single photon double ionization of carbon diselenide ([Formula: see text]) has been investigated by means of multi-particle coincidence techniques. The interpretation of the experimental spectra is helped by post-Hartree-Fock computations at the Coupled Clusters and Multi-Reference Configuration-Interaction levels to determine the energetics and electronic state potentials of [Formula: see text] and its fragments. The lowest experimental double ionization energy of [Formula: see text] has been found to be 24.68 ± 0.20 eV, reflecting the [Formula: see text] ground state, and is in agreement with the theoretical vertical double ionization energy of 24.41 eV. Several fragmentation channels are reported including experimental appearance energies and kinetic energy releases in comparison to theoretical results on their characteristics. In particular, we identify several purely repulsive, Coulomb explosion fragmentation channels.

Identifiers

PMID39994312
PMCPMC11850846

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