Collaborative Research Center 1333
Molecular Heterogeneous Catalysis in Confined Geometries
X-ray analysis in project S1 will comprise of XANES, EXAFS, HERFD-XANES, vtc-XES, and ctc-XES measurements. These methods provide information about the oxidation state (XANES), local structural parameters around an X-ray absorbing metal center (EXAFS), the LUMO (HERFD-XANES) and HOMO (vtc-XES) states of the complexes under investigation and their spin state (ctc-XES) without the need for any translational symmetry. Using this hard X-ray bunch of methods in combination with theoretical calculations (project C4), all relevant information to understand the structure and working principle of molecular heterogeneous catalysts in projects B1-B3 in situ as well as in operando can be obtained.
M. Kirchhof, K. Gugeler, A.-K. Beurer, F. R. Fischer, D. Batman, S. M. Bauch, S. Kolin, E. Nicholas, R. Schoch, Ch. Vogler, S. R. Kousik, A. Zens, B. Plietker, P. Atanasova, S. Naumann, M. Bauer, J. R. Bruckner, Y. Traa, J. Kästner and Sabine Laschat Catal. Sci. Technol., 2023, 13, 3709-3724.
S. T. Emmerling, F. Ziegler, F. R. Fischer, R. Schoch, M. Bauer, B. Plietker, M. R. Buchmeiser and B. V. Lotsch Chem. Eur. J. 2022, 28, e202104108.
F. Ziegler, H. Kraus, M. J. Benedikter, D. Wang, J. R. Bruckner, M. Nowakowski, K. Weißer, H. Solodenko, G. Schmitz, M. Bauer, N. Hansen and M. R. Buchmeiser ACS Catal. 2021, 11, 11570-11578.
H.- H. Nguyen, Z. Li, T. Enenkel, J. Hildebrand, M. Bauer, M. Dyballa and D. P. Estes J. Phys. Chem. C 2021, 125, 14627–14635.
![Electronic Structure of a Diiron Complex: A Multitechnique Experimental Study of [(dppf)Fe(CO) ₃] ⁺/⁰](https://www.crc1333.de/wp-content/uploads/2021/02/PUB-Slagaren_1.jpeg)
M. Winkler, M. Schnierle, F. Ehrlich, K. I. Mehnert, D. Hunger, A. M. Sheveleva, L. Burkhardt, M. Bauer, F. Tuna, M. R. Ringenberg and J. van Slageren Inorg. Chem. 2021, 60, 2856–2865.
M. J. Benedikter, J. V. Musso, M. K. Kesharwani, K. L. Sterz, I. Elser, F. Ziegler, F. Fischer, B. Plietker, W. Frey, J. Kästner, M. Winkler, J. van Slageren, M. Nowakowski, M. Bauer and M. R. Buchmeiser ACS Catal. 2020, 10, 14810–14823.
M. Kirchhof, K. Gugeler, F. R. Fischer, M. Nowakowski, A. Bauer, S. Alvarez-Barcia, K. Abitaev, M. Schnierle, Y. Qawasmi, W. Frey, A. Baro, D. P. Estes, T. Sottmann, M. R. Ringenberg, B. Plietker, M. Bauer, J. Kästner and S. Laschat Organometallics 2020, 39, 3131–3145.
