PUNCh

Inspired from nitrogenases, chemists focus on implementing mild artificial N2-fixation. The unique reactivity of these enzymes arises from the combination of a bimetallic Fe unit, activating N2 via a “push-push” mechanism, with H-bond donors (Lewis acids), interacting with N2 and enhancing its reactivity via a “push-pull” pathway, and sulfur ligands with acido-basic properties propitious for catalysis. PUNCh proposes to combine these three elements in nitrogenase model chemistry, with expected beneficial effects for catalytic applications. Its strategy includes the investigation of bimetallic thiolate-bound complexes for the activation of N2, structure-function correlation studies on group 6 N2-complexes with p-block Lewis acids, and the synthesis of “mixed” metal-thiolate/group 6-N2/Lewis acid systems. All the required skills are available in the consortium: synthesis/reactivity/characterization of complexes, electro/photo- and quantum chemistry.