H2 activation by a borane-modified [FeFe]-hydrogenase model forming an intramolecular frustrated Lewis pair.

Abstract

The H₂ molecule, a green energy vector, is cleaved without noble metals by an {Fe₂S₂} complex functionalized via hydroboration of allyldiphenylphosphine. The pair formed by the boron-based Lewis acid and the {FeFe} center functions as a frustrated Lewis pair. Computational studies allow the proposed mechanism of intramolecular cooperative H₂ splitting to be rationalized.