Ring-Expansion Metathesis Polymerization Under Confinement
P. Probst, M. Lindemann, J. R. Bruckner, B. Atwi, D. Wang, F. R. Fischer, M. Högler, M. Bauer, N. Hansen, M. Dyballa and M. R. Buchmeiser J. Am. Chem. Soc. 2025, 147, 8741–8750.
Project A04
Mesoporous metallo-silicates
Mesoporous metallo-silicates with defined electronic and geometric properties: A combined experiment-theory approach
In a combined experiment-theory approach, project A04 will not only produce tailor-made ordered mesoporous metallo-silicates (OM2S) for optimized catalytic applications, but also create a profound understanding of their electronic structure and resulting properties. We will prepare OM2S by true liquid crystal templating with various metals, striving for a precise control of properties, such as pore diameters, Brønstedt and Lewis acidities, etc. We will underpin the experimental work by simulations utilizing density-functional-theory and moment tensor potentials, which will provide crucial insights into the kinetics and electronic structure of the materials, thus resulting in a holistic picture of the materials.
Research focus in the first funding period (2018-2022): Controlled synthesis of mesoporous silica materials
Former PIs: Prof. Dr. Frank Gießelmann, Prof. Dr. Yvonne Traa
Asymmetric Rh Diene Catalysis under Confinement: Isoxazole Ring-Contraction in Mesoporous Solids
M. Marshall, Z. Dilruba, A.-K. Beurer, K. Bieck, S. Emmerling, F. Markus, Ch. Vogler, F. Ziegler, M. Fuhrer, S. S. Y. Liu, S. R.Kousik, W. Frey, Y. Traa, J. R. Bruckner, B. Plietker, M. R. Buchmeiser, S. Ludwigs, S. Naumann, P. Atanasova, B. V. Lotsch, A. Zens and S. Laschat Eur. J. Org. Chem. 2024, 27, e202400283.
Macrocyclization of Dienes Under Confinement With Cationic Tungsten Imido/Oxo Alkylidene N-Heterocyclic Carbene Complexes
F. Ziegler, J. R. Bruckner, M. Nowakowski, M. Bauer, P. Probst, B. Atwi, M. R. Buchmeiser ChemCatChem, 2023,15 (21), e202300871.
Performance of two complementary machine-learned potentials in modelling chemically complex systems
K. Gubaev, V. Zaverkin, P. Srinivasan, A. I. Duff, J. Kästner and B. Grabowski npj Comput Mater 2023, 9, 129.
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.
Comparative study of lattice parameter and pore size of ordered mesoporous silica materials using physisorption, SAXS measurements and transmission electron microscopy
A.-K. Beurer, S. Dieterich, H. Solodenko, E. Kaya, N. Merdanoǧlu, G. Schmitz, Y. Traa and J. R. Bruckner Microporous Mesoporous Mater. 2023, 354, 112508. The publication can be downloaded free of charge and without registration until May 11, 2023 via the following link: https://authors.elsevier.com/a/1gnb54xQ964rdP
Determination of accessibility and spatial distribution of chiral Rh diene complexes immobilized on SBA-15 via phosphine-based solid-state NMR probe molecules
C. Rieg, M. Kirchhof, K. Gugeler, A. Beurer, L. Stein, K. Dirnberger, W. Frey, J. Bruckner, Y. Traa, J. Kästner, S. Ludwigs, S. Laschat and M. Dyballa Catal. Sci. Technol., 2023,13, 410-425.
Predictive design of ordered mesoporous silica with well-defined, ultra-large mesopores
Ch. Vogler, S. Naumann and J. R. Bruckner Mol. Syst. Des. Eng., 2022, 7, 1318-1326.
Influence of the Template Removal Method on the Mechanical Stability of SBA-15
A.-K. Beurer, J. R. Bruckner and Y. Traa ChemistryOpen 2021, 10, 1123 – 1128.
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.
The alumination mechanism of porous silica materials and properties of derived ion exchangers and acid catalysts
Z. Li, M. Benz, C. Rieg, D. Dittmann, A.-K. Beurer, D. Häussermann, B. Arstad and M. Dyballa Mater. Chem. Front. 2021, 5, 4254-4271.
Mechanisms and Intermediates in the True Liquid Crystal Templating Synthesis of Mesoporous Silica Materials
J. R. Bruckner, J. Bauhof, J. Gebhardt, A.-K. Beurer, Y. Traa and F. Giesselmann J. Phys. Chem. B 2021, 125, 3197–3207.
Efficient and Spatially Controlled Functionalization of SBA‐15 and Initial Results in Asymmetric Rh‐Catalyzed 1,2‐Additions under Confinement
A.-K. Beurer, M. Kirchhof, J. Bruckner, W. Frey, A. Baro, M. Dyballa, F. Gießelmann, S. Laschat and Y. Traa ChemCatChem 2021, 13, 2407 – 2419.
Effect of aluminum and sodium on the sorption of water and methanol in microporous MFI-type zeolites and mesoporous SBA-15 materials
Z. Li, C. Rieg, A. K. Beurer, M. Benz, J. Bender, Ch. Schneck, Y. Traa, M. Dyballa and M. Hunger Adsorption 2021, 27, 49–68.
Controlled Synthesis of “Reverse Pluronic”-Type Block Copolyethers with High Molar Masses for the Preparation of Hydrogels with Improved Mechanical Properties
F. Markus, J. R. Bruckner and S. Naumann Macromol. Chem. Phys.2020, 221, 1900437.