Ligand Tuning in Cu(pyalk)2 Water Oxidation Electrocatalysis

Molecular copper water oxidation electrocatalysts have been extensively studied in recent years for their potential use artificial photosynthetic systems solar energy conversion. Although ligand modification and its ability to influence catalytic properties is a key advantage of molecular systems, there are, as yet, few examples systematic studies these effects. Our oxidatively resistant pyalk (2-pyridyl-2-propanoate) forms complex with copper(II) that catalyzes provides an attractive scaffold tuning. Here, we report series analogous complexes electron-donating (methoxy-) -withdrawing (methoxycarbonyl-) groups at the para-position ligand. Trends pKa redox align first-principles predictions electron-withdrawing groups. While modified show good activity oxidation, lowered faradaic efficiency comparison parent highlights importance stability considerations catalyst