Development of efficient nickel catalysts for the hydrocyanation of non-activated alkenes by selective utilization of catalyst/co-catalyst synergies.

• Applicants: Dr. Matthias Stein; Professor Dr. Dieter Vogt
• Subject Area: Technical Chemistry ; Theoretical Chemistry: Molecules, Materials, Surfaces
• Term: since 2025
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 567312124

In this ambitious project, novel ligand concepts in Ni-catalyzed hydrocyanation are developed and applied in cooperation of the working groups Stein (MPI Magdeburg) and Vogt (TU Dortmund University). Since the VOGT group has many years of experience and extensive expertise in the field of homogeneous transition metal catalysis, in particular hydrocyanation, and the STEIN group has proven expertise in the field of computational chemistry, especially for homogeneous catalysis, a great synergetic potential can be used. The aim of this project is to increase the efficiency of the synthesis of nitriles by Ni-catalyzed hydrocyanation in the presence of a Lewis acid. The key challenge is the so far low catalytic efficiency for non-activated alkenes. To this end, catalyst structure-activity relationships are being systematically investigated. Based on preliminary work by the Vogt group, a new promising concept is used, in which catalyst and Lewis acid co-catalyst form a functional unit and their cooperativity is optimally utilized. This is achieved by covalent attachment of a boron-based Lewis acid to the ligand to form a highly active functional unit. For this purpose, the Stein group performs calculations on optimal structural units using modern computational chemistry methods. These results are incorporated into the design of suitable ligand systems. Subsequently, these are synthesized by the Vogt group and tested in hydrocyanation. The results with regard to activity and selectivity are then in turn incorporated into the design of new ligands. The special skills and experience of both groups are thus ideally used and form the basis for the success of the project.

• DFG Programme: Research Grants