A highly efficient Ir-catalyst for the solventless dehydrogenation of formic acid: the key role of an N-heterocyclic olefin

A sturdy iridium complex that features a PCP ligand based on an N-heterocyclic olefin shows remarkable activity for the solventless dehydrogenation of formic acid. Reactivity studies highlight the importance of NHO in the activity of the catalyst. A plausible intermediate has been isolated and the mechanism was substantiated by DFT calculations.This work was supported by the Spanish Ministry of Education, Culture and Sports (MECD) (project CTQ2016-75884-P, “Ramón y Cajal” program RYC2016-20864 (M. I.) and FPU14/06003 (J. M.)) and the DGA/E42_17R.Peer Reviewe