Freiburg 2024 – scientific programme
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MO: Fachverband Molekülphysik
MO 18: Poster: Cluster
MO 18.1: Poster
Wednesday, March 13, 2024, 17:00–19:00, Tent C
Nickel L3 excitation energy shifts and spectroscopic signatures revealing different electronic characteristics within cationic nickel halides — •Max Flach1,2, Konstantin Hirsch1, Tim Gitzinger2, Martin Timm1, Mayara da Silva Santos1,2, Olesya Ablyasova1,2, Markus Kubin1, Tobias Lau1,2, Bernd von Issendorff2, and Vicente Zamudio-Bayer1 — 1Helmholtz-Zentrum Berlin — 2Universität Freiburg
Electronic configurations play an important role for the catalytic abilities of late transition metals. Late first row transition metal halides like nickel halides have been of interest in various studies regarding their possible use in catalytic reactions and reactivity studies reveal differences in their reactivity with respect to the halogen ligand. In this study we use x-ray absorption spectroscopy at the nickel L3-edge of [NiX]+ (X=F,Cl,Br,I) and mono atomic nickel cations in two well defined electronic configuration to show the change from NiF+ with a predominant 3d8 configuration to [NiX]+ (X=Cl,Br,I) with a predominant 3d9 L configuration. Experimentally obtained L3-edge shifts of the mono atomic species correspond well to the well established theory for exact one integer change in 3d occupation in atomic core level spectroscopy. The obtained L3-edge shifts of the [NiX]+ (X=F,Cl,Br,I) series shows shifts associated with an integer change in oxidation state in literature. Comparison between mono atomic with valence electrons in purely atomic orbitals and the diatomic samples with valence electrons contributing to molecular orbitals provides insight on the influence of 3d electrons participating in bonding on L3 excitation energy shifts.
Keywords: Nickel halides; x-ray absorbtion spectroscopy; Nickel L-edge; gas phase