Peripheral nucleic bases boost H 2 production by synthetic molecular catalysts in acidic water.

The strategic inclusion of nucleic bases adenine, cytosine, and thymine, in the form of outer coordination sphere, positively impacts the electro- and photocatalytic H 2 production by cobaloxime cores. These cobaloxime derivatives showcased their optimal H 2 production in acidic media due to specific protonation of adenine and cytosine below pH 5.0.