Using Support Effects to Increase the Productivity of Immobilized Ruthenium Hydride Catalysts for the Hydrogenation of CO2
H.-H. Nguyen, M. Dyballa and D. P. Estes Inorg. Chem. 2024, 63, 23479−23486.
Project B08
Probing precatalyst association by NMR
Probing confinement enhanced precatalyst association in Pd catalyzed enyne cycloisomerizations by advanced NMR spectroscopy
– New project since July 2022 –
Palladium hydrides that catalyze enyne cycloisomerization reactions, typically formed in situ by reaction of weak Brönsted acids with Pd(0) complexes, are often only present in small equilibrium concentrations. The proportion of active catalyst as well as the catalytic selectivity can be, however, vastly increased through confinement due to the higher local concentration and interaction with the pore walls. In this project, we will use advanced MAS NMR techniques (such as HETCOR and REDOR) to observe the effect of confinement on the equilibrium of palladium hydride formation in pores and explain the effect on the catalytic activity and selectivity for enyne cycloisomerization.
Structural Characterization of Surface Immobilized Platinum Hydrides by Sensitivity-Enhanced 195Pt Solid State NMR Spectroscopy and DFT Calculations
B. A. Atterberry, E. Wimmer,  S. Klostermann,  W. Frey, J. Kästner,  D. Estes and A. J Rossini Chem. Sci., 2024, Accepted Manuscript.
Linker-Cluster Cooperativity in Confinement of Proline-Functionalized Zr-Based Metal-Organic Frameworks and its Effect on the Organocatalytic Aldol Reaction
D. Zarfishan, A. Dadgar Yeganeh, S. Kolin, S. Noor, H. Shatla, C. Wieland ,B.-H. Yu ,K. Gugeler , A. Zens, J. Kästner, D. Estes, K. Pluhackova ,S. Krause and S. Laschat ChemRxiv. 2024, preprint.
Feed injection in liquid chromatography: Reducing the effect of large-volume injections from purely organic diluents in reversed-phase liquid chromatography
A. Böth, D. Foshag, Ch.Schulz, B. Atwi, S. E. Maier, D. P.Estes, M. R. Buchmeiser, T. van de Goor and U. Tallarek J. Chrom. A 2024, 1730, 465165.
Effects of Surfaces and Confinement on Formic Acid Dehydrogenation Catalyzed by an Immobilized Ru–H Complex: Insights from Molecular Simulation and Neutron Scattering
H.-H. Nguyen, M. Högler, N. Schnabel, N. Hansen, T. Sottmann and D. P. Estes ACS Catal. 2024, 14, 11252–11261.
Reversible Oxidative Additions of Weak Acids to Pd(0) Complexes: Effects on Pd–H-Catalyzed Enyne Cycloisomerization
E. J. Wimmer and D. P. Estes Organometallics 2024, 43, 9, 1068–1075.
Understanding the Reducibility of CeO2 Surfaces by Proton–Electron Transfer from CpCr(CO)3H
O. Bunjaku, J. Florenski, J. Wischnat, E. Klemm, O. V. Safonova, J. van Slageren, and D. P. Estes Inorg. Chem. 2024, 63, 16, 7512–7519.
Comparison of the Catalytic Activity of Surface-Immobilized Copper Complexes with Phosphonate Anchoring Groups for Atom Transfer Radical Cyclizations and Additions
S. E. Maier, T. Nagel, M. Turan, E. Kaya, W. Frey, M. Dyballa and D. P. Estes Organometallics 2024, 43, 3, 233–241.
Acceleration of indirect detection 195Pt solid-state NMR experiments bysideband selective excitation or alternative indirect sampling schemes
B. A. Atterberry, E. Wimmer, D. P. Estes and A. J. Rossini J. Magn. Reson. 2023, 352, 107457.
Surface immobilized Cu-1,10-phenanthroline complexes with α-aminophosphonate groups in the 5-position as heterogenous catalysts for efficient atom-transfer radical cyclizations
S. E. Maier, O. Bunjaku, E. Kaya, M. Dyballa, W. Frey and D. P. Estes Dalton Trans., 2023, 52, 8442-8448.
Oxo-Bridged Zr dimers as well-defined models of oxygen vacancies on ZrO2
E. J. Wimmer, S. V. Klostermann, M. Ringenberg, J. Kästner and D. P. Estes Eur. J. Inorg. Chem. 2023, e202200709.