 | Patrick Lechner University of Vienna Institute of Theoretical Chemistry Währinger Str. 17 1090 Vienna Austria patrick.lechner@univie.ac.at +43 1 4277 52717 ORCID: 0009-0009-0142-3906 |
| Focus Area |
| My research focuses on photocatalytic metal-organic frameworks (MOFs) and their potential for small-molecule activation, with a particular interest in photocatalytic N2 fixation. I investigate how the magnetic and electronic structure of the triangular metal-oxo nodes of these MOFs governs their reactivity, and how the choice of first-row transition metal influences this behavior. My approach combines a range of electronic structure methods with the modeling of magnetic susceptibility and the investigation of excited states, linking computational predictions to experimental observables. By understanding how magnetic exchange within these clusters correlates with photocatalytic activity, my work aims to investigate the mechanism of photocatalytic N2 fixation in these MOFs, relevant to sustainable energy conversion. This research is carried out as part of the MECS Cluster of Excellence. |
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| Publications |
Metal-dependent Magnetic Exchange Topology as a Fingerprint of N2 Binding in Isostructural MOF Nodes (submitted), (2026) 2. P. Lechner, G. Ganguly, M. J. Sahre, G. Kresse, J. C. B. Dietschreit, L. González Spin Frustration Determines the Stability and Reactivity of Metal-Organic Frameworks with Triangular Iron(III)-oxo Clusters Angew. Chem. Int. Ed. 64, e202514014, (2025), DOI: 10.1002/anie.202514014 Cover Image: P. Lechner, G. Ganguly, M. J. Sahre, G. Kresse, J. C. B. Dietschreit, L. González P. Lechner, G. Ganguly, M. J. Sahre, G. Kresse, J. C. B. Dietschreit, L. González Interplay between Protonation and Jahn–Teller Effects in a Manganese Vanadium Cubane Water Oxidation Catalyst J. Chem. Phys 160, 084306, (2024), DOI: 10.1063/5.0189673 |