
By application of XAS (X-ray absorption spectroscopy), HERFD-XANES (High energy resolution fluorescence detected X-ray absorption near edge structure), CtC-XES (core-to-core X-ray emission spectroscopy) and VtC-XES (valence-to-core XES) an exhaustive multitude of geometric (bond lengths and coordination numbers) and electronic (spin multiplicity, HOMO and LUMO states) structure parameters can be determined in order to understand the working function and working principle of metal complexes and catalysts. Beside numerous exciting cooperations we aim to understand photoactive compounds, hydride catalysts and reaction intermediates and iron-catalyzed cross-coupling reactions.
For an in-depth analysis of the spectra we apply mainly theoretical (TD-)DFT methods using the ORCA program package.
Part of this research is carried out in frame of the priority programs SPP 1708 (Synhesis near room temperature) and SPP 2080 (catalysis under dynamic conditions).
Cooperations
Prof. Dr. Matthias Beller (LIKAT)
Prof. Dr. Angelika Brückner (LIKAT)
Prof. Dr. Michael Buchmeiser (Stuttgart)
Prof. Dr. Katja Heinze (Mainz)
Prof. Dr. Thomas Kühne (Paderborn)
Prof. Dr. Sabine Laschat (Stuttgart)
Prof. Dr. Bernd Plietker (Stuttgart)
Prof. Dr. Bibrajit Sarkar (Berlin)
Prof. Dr. Axel Jacobi von Wangelin (Hamburg)
Publications
Chem. Eur. J., 2013, 19, 15816-15821.
Phys. Chem. Chem. Phys., 2015, 17, 13937-13948.
Angew. Chem. Int. Ed., 2015, 54, 13769-13774.
Inorg. Chem., 2016, 55, 11694-11706.
Inorg. Chem., 2017, 56, 13300-13310.
Nature Chem., 2017, 9, 1249-1255.
Chem. Eur. J., 2018, 24, 16052-16065.
J. Comput. Chem., 2019, 40, 712-716.
Inorg. Chem., 2019, 58, 6609-6618.
Chem. Eur. J., 2019, 25, 11826-11830.
Chem. Cat. Chem, 2020, 12, 1025-1035.
Contact
Lorena Fritsch
Inorganic Chemistry - Research Group Bauer

Dr Michał Nowakowski
Inorganic Chemistry - Research Group Bauer

Anke Schoch, M.Sc.
Inorganic Chemistry - Research Group Bauer

Dr. Roland Schoch
Inorganic Chemistry - Research Group Bauer

Güldeniz Tonbul
Inorganic Chemistry - Research Group Bauer

Sven Strübbe, M. Sc.
Inorganic Chemistry - Research Group Bauer
