Multimetallic cofactors are found in enzymes that catalyze multi-electron reactions. Their structural and electronic complexity have made them interesting synthetic targets, while mimicry of the function is highly sought after in the context of sustainable energy. However, rational synthesis and tuning of metal clusters is underdeveloped. Compared to monometallic systems, ligand design for multimetallic clusters can be highly difficult given their large size. Here we show that peptoids are an efficient scaffold to build and screen large ligands that fold to provide tetra- and hexadentate chelation by carboxylates to a [Co<sub>4</sub>O<sub>4</sub>] cubane cluster. The structures of these complexes reveal key steric and side-chain-to-main chain interactions that work in concert to rigidify the peptoid ligand.

Bio-inspired approach to ligand design: Folding single-chain peptoids to chelate a multimetallic cluster

2019 Fall National Meeting

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.