From Bond Activation to Catalysis

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Homogeneous catalysis is the preferred method for high-precision, minimal-waste synthesis of high-value-added chemical products such as pharmaceuticals. Many catalysts contain a metal atom surrounded by a "protective coat", the ligand; ligand variation allows tuning of the catalyst performance. My research program is aimed at understanding steps of chemical reactions at metals, and at quantifying how ligand variation can be used to influence those steps. Within my group, we use both computational and experimental techniques, which allows us to probe reaction mechanisms in great detail. In one research theme, we study ligands that can function as "electron reservoirs", temporarily storing electrons and then releasing them when needed to make reactions happen. In another theme, we look at ligands that bind strongly to their metal but occupy so much space that the metal is prevented from attaining its preferred surrounding, thus increasing its reactivity. In both themes, we have in previous work discovered new bond breaking and making chemistry that so far is still stoichiometric. In the coming grant period we aim to convert this into true catalysis. If successful, this would lead for theme 1 to new, cleaner options for creating carbon skeletons, the backbones of organic compounds (including pharmaceuticals). In theme 2, success in catalysis would afford easier and cleaner access to a range of organosilicon compounds, which find applications in organic synthesis as well as in the preparation of materials.