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MO: Fachverband Molekülphysik

MO 1: Electronic

MO 1.5: Talk

Monday, September 20, 2021, 12:00–12:15, H2

X-ray L-edge absorption spectroscopy on gas phase diatomic iron halide systems beyond the oxidation state — •Max Flach^1,2, Vicente Zamudio-Bayer¹, Konstantin Hirsch¹, Martin Timm¹, Olesya Ablyasova^1,2, Mayara da Silva Santos da Silva Santos^1,2, Markus Kubin Kubin¹, Christine Bülow², Bernd von Issendorff², and Tobias Lau^1,2 — ¹Helmholtz-Zentrum, Berlin, Germany — ²Albert-Ludwigs-Universität, Freiburg, Germany

Transition Metal L-edge spectroscopy is widely used to determine oxidation states of a wide range of samples, hence, an estimate of uncertainty contributions to assigned oxidation states from chemical shifts is of high importance. Here we use gas phase FeX⁺ (X=F, Cl, Br, I) as a idealized model system to provide high resolution XAS spectra to quantify energy shifts of the Iron L₃-edge and to study changes in electronic structure within the same oxidation state of Fe(II). Along with a change in line shape of the Iron L₃-edge, we observe energy shifts of the intensity distributions median of the spectra along the series. The observed shifts hint towards a charge transfer to and from the halogen to the iron, involving orbitals of different symmetry.