New Complexes for Catalytic Dehydrogenative Functionalization – N2CDFun

Catalytic dehydrogenative hydrofunctionalization is a simple way to synthesize organic molecules bearing a vinyl fragment. We want to synthesize, via a dehydrogenative hydroboration or hydrosilylation process with ethylene, ethenylboranes and ethenylsilanes, respectively. The resulting products are important precursors for the silicon industry and for fine chemical transformations. These dehydrogenative hydrofunctionalization reactions compete with simple hydrofunctionalization reactions. With this project, we want to develop selective processes towards the synthesis of vinyl products. Two original approaches will be developed. 1) We will focus on the use of first row transition metals, related ruthenium systems serving as benchmarks. 2) We will use a specific class of ligands bearing agostic Si-H and B-H interactions to prepare the active site for further functionalization. The fundamental aspects, experimental and theoretical, will be scrutinized in order to move to more efficient processes. Catalytic conditions will follow, as much as possible, sustainable principles and we will pay a special attention to systems operating in mild conditions of temperature and pressure.
We create a unique French-Mexican consortium in the domain of coordination chemistry and catalysis. The partners have a strong complementary expertise in all the different aspects of the project to be able to tackle a challenging domain in catalysis – the synthesis of ethenylboranes and ethenylsilanes from ethylene - with a specific class of complexes based on first-row transition metals featuring agostic interactions.