Main research findings
Transition metal complexes are essential for many industrial processes where they serve as catalysts for the production of both bulk and fine chemicals. The latter is dominated by homogeneous catalysis, where all reactants and the catalyst are present in the same phase, usually a liquid. Due to their molecular structure and isolated reaction sites, homogeneous catalysts can be studied with more ease than their heterogeneous analogs, often allowing for better insights into the underlying mechanism of the reaction. However, many transformations are still elusive and, consequently, efforts to gain a better understanding of these processes are ongoing.
This thesis investigates three transition metal complexes and their reactivity toward small molecules, such as methane and ethylene. Using computational methods, mechanisms of two different C-H bond activation reactions, one gold-catalyzed and one iridium-catalyzed, and a rhodium-mediated hydrogenation reaction were proposed. Closer investigations into the electronic structure and spectroscopic characteristics of the systems as well as studies of the underlying microkinectics connected the computational work well to experiments and elucidated the origins of unexpected results.
Overall, these studies contributed to a better understanding of transition metal complexes in homogeneous catalysis and addressed the challenges that are met when combining experiments with computational approaches.
Date: May 30th, 2025 at Department of Chemistry, "Kjemibygningen".
Committees
Chair/leader of the defense
Professor Truls Norby. Department of Chemistry, University of Oslo, Norway.
Members of the evaluation committee
Professor Fahmi Himo. Stockholm University, Sweden.
Professor Maria Besora Bonet. University Rovira I Virgili, Spain.
Associate Professor Jonathan Polfus. Department of Chemistry, University of Oslo, Norway.
Members of the supervisors committee
Senior Researcher Ainara Nova Flores. Department of Chemistry, University of Oslo, Norway.
Senior Researcher David Balcells Badia. Department of Chemistry, University of Oslo, Norway.
Professor Mats Tilset. Department of Chemistry, University of Oslo, Norway.