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An Ir-III-monohydride species bearing a chemoresponsive ligand is active in catalytic CO2 hydrogenation to formic acid with DBU as the exogenous base. Spectroscopic and computational data reveal a trans-Ir-III-dihydride as the essential catalytic intermediate and an Ir-III(H)(3) species as the dormant off-cycle product. This insight will aid future design of improved CO2 reduction catalysts

catalysis science and technology

Hydrogenation of CO2 to formic acid with iridiumIII(bisMETAMORPhos)(hydride): the role of a dormant fac-IrIII(trihydride) and an active trans-IrIII(dihydride) species