Journal Article

PUBDB-2026-01743

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Imaging SF$_6$ with K-shell molecular-frame photoelectron angular distributions

McGinnis, O. D. (Corresponding author)Extern* ; Diehl, N. ; Sommerlad, L.Extern* ; Pier, A.Extern* ; Melzer, N.Extern*XFEL.EU* ; Grundmann, S.Extern*XFEL.EU* ; Novikovskiy, N. M. ; Doerner, R.Extern* ; Jahnke, T.Extern*XFEL.EU*DESY* ; Trinter, F. (Corresponding author)Extern* ; Demekhin, P. (Corresponding author)Extern*

2026
Inst. Woodbury, NY

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Please use a persistent id in citations: doi:10.1103/68bc-m3y9  doi:10.3204/PUBDB-2026-01743

Abstract: We report a joint experimental and theoretical study of K-shell photoionization of S and F atoms in sulfur hexafluoride, SF$_6$. In our experiment, we employed tunable synchrotron radiation to generate photoelectrons emitted from the 1s shells of the S and F atoms with different kinetic energies. Coincident electron- and fragment-ion detection, carried out using cold target recoil-ion momentum spectroscopy, enabled access to polarization-averaged molecular-frame photoelectron angular distributions. In addition, we performed electronic structure calculations within the relaxed-core Hartree-Fock approximation by using a stationary single-center method. The calculations are in good agreement with the experiment. Our results support previous findings on the feasibility of imaging three-dimensional atomic arrangements in molecules using polarization-averaged molecular-frame angular distributions. In particular, we demonstrate that such imaging is possible even at intermediate photoelectron kinetic energies and even for six experimentally undistinguished F 1s emitters.

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Contributing Institute(s):

1. DOOR-User (DOOR ; HAS-User)
2. PETRA-S (FS-PETRA-S)

Research Program(s):

1. 6G3 - PETRA III (DESY) (POF4-6G3) (POF4-6G3)
2. FS-Proposal: I-20210955 (I-20210955) (I-20210955)
3. DFG project G:(GEPRIS)509471550 - Dynamik photoionisations-induzierter Prozesse in laser-präparierten Molekülen in der Gasphase und der wässrigen Phase (509471550) (509471550)
4. DFG project G:(GEPRIS)492619011 - Photoelektronenwinkelverteilung im Molekülsystem – ein sensitiver Zugang zur elektronischen Struktur und Dynamik (492619011) (492619011)

Experiment(s):

1. PETRA Beamline P04 (PETRA III)

Appears in the scientific report 2026

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Database coverage:
; ; ; Clarivate Analytics Master Journal List ; Current Contents - Electronics and Telecommunications Collection ; Current Contents - Physical, Chemical and Earth Sciences ; Essential Science Indicators ; IF < 5 ; JCR ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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