Rational Design of Transition Metal Complexes for the Catalytic Hydrogenation of Carbon Dioxide – A Synthetic, Spectroscopic and Quantum Theoretical Approach
- Investigation of iron, cobalt, and nickel complexes as catalysts in the reduction of carbon dioxide by hydrogen
- Spectroscopic characterization of reactive intermediates
- Quantum theoretical determination of the electronic properties, reaction barriers, and rate-determining steps
- Investigation of the influence of the ligand architecture on the reaction barriers to determine a structure/reactivity relationship
- Development of other more efficient catalysts based on the results obtained
Cramer, H. H.; Ye, S.; Neese, F.; Werlé, C.; Leitner, W., Cobalt-catalyzed hydrosilylation of carbon dioxide to the formic acid, formaldehyde, and methanol level - How to control the catalytic network? JACS Au 2021, 1, 2058-2069, https://doi.org/10.1021/jacsau.1c00350.
Cramer, H. H.; Chatterjee, B.; Weyhermüller, T.; Werlé, C.; Leitner, W., Controlling the product platform of carbon dioxide reduction: adaptive catalytic hydrosilylation of CO2 using a molecular cobalt(II) triazine complex. Angew. Chem., Int. Ed. 2020, 59, 15674 –15681, https://doi.org/10.1002/anie.202004463. German Edition: Angew. Chem. 2020, 132, 15804-15811, https://doi:10.1002/ange.202004463.