Dinuclear Cu(I) molecular electrocatalyst for CO2-to-C3 product conversion

Abstract Molecular metal complex catalysts are highly tunable in terms of their CO 2 reduction performance by means of their flexible molecular design. However, metal complex catalysts have challenges in their structural stability and it has not been possible to synthesize high-value-added C 3 products due to their inability to perform C–C coupling. Here we show a CO 2 reduction reaction catalysed by a Br-bridged dinuclear Cu(I) complex that produces C 3 H 7 OH with high robustness during the reaction. The C–C coupling reaction mechanism was analysed by experimental operando surface-enhanced Raman scattering analysis, and theoretical quantum-chemical calculations proposed the formation of a C–C coupling intermediate species with substrate incorporation between the two Cu centres. Molecular design guidelines based on this discovery offer an approach to developing next-generation catalysts that generate multicarbon CO 2 reduction products.