S01 – X-ray spectroscopy

Prof. Dr. Bernd Plietker

TU Dresden

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Prof. Dr. Matthias Bauer

University of Paderborn

Website

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.

Tethering chiral Rh diene complexes inside mesoporous solids: experimental and theoretical study of substituent, pore and linker effects on asymmetric catalysis

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.

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Olefin Metathesis in Confinement: Towards Covalent Organic Framework Scaffolds for Increased Macrocyclization Selectivity

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.

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Rh(I)/(III)-N-Heterocyclic Carbene Complexes: Effect of Steric Confinement Upon Immobilization on Regio- and Stereoselectivity in the Hydrosilylation of Alkynes

P. K. R. Panyam, B. Atwi, F. Ziegler, W. Frey, M. Nowakowski, M. Bauer and M. R. Buchmeiser
Chem. Eur. J. 2021, 27, 17220–1722.

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Confinement Effects for Efficient Macrocyclization Reactions with Supported Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Complexes

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.

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Probing the Interactions of Immobilized Ruthenium Dihydride Complexes with Metal Oxide Surfaces by MAS NMR: Effects on CO₂ Hydrogenation

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.

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Immobilized Platinum Hydride Species as Catalysts for Olefin Isomerizations and Enyne Cycloisomerizations

S. Maier, S. P. Cronin, M.-A. Vu Dinh, Z. Li, M. Dyballa, M. Nowakowski, M. Bauer, D. P. Estes
Organometallics 2021, 40, 11, 1751–1757.

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Electronic Structure of a Diiron Complex: A Multitechnique Experimental Study of [(dppf)Fe(CO) ₃] ⁺^/⁰

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.

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Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach

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.

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Experimental and Theoretical Study on the Role of Monomeric vs Dimeric Rhodium Oxazolidinone Norbornadiene Complexes in Catalytic Asymmetric 1,2- and 1,4-Additions

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.

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Project Leader(s)

Team

Summary

Publications

Tethering chiral Rh diene complexes inside mesoporous solids: experimental and theoretical study of substituent, pore and linker effects on asymmetric catalysis

Olefin Metathesis in Confinement: Towards Covalent Organic Framework Scaffolds for Increased Macrocyclization Selectivity

Rh(I)/(III)-N-Heterocyclic Carbene Complexes: Effect of Steric Confinement Upon Immobilization on Regio- and Stereoselectivity in the Hydrosilylation of Alkynes

Confinement Effects for Efficient Macrocyclization Reactions with Supported Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Complexes

Probing the Interactions of Immobilized Ruthenium Dihydride Complexes with Metal Oxide Surfaces by MAS NMR: Effects on CO₂ Hydrogenation

Immobilized Platinum Hydride Species as Catalysts for Olefin Isomerizations and Enyne Cycloisomerizations

Electronic Structure of a Diiron Complex: A Multitechnique Experimental Study of [(dppf)Fe(CO) ₃] ⁺^/⁰

Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach

Experimental and Theoretical Study on the Role of Monomeric vs Dimeric Rhodium Oxazolidinone Norbornadiene Complexes in Catalytic Asymmetric 1,2- and 1,4-Additions

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Completed projects

Completed projects

Completed projects

S01 – X-ray spectroscopy

Project Leader(s)

Team

Summary

Publications

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