Using Gas-Phase Clusters to Screen Porphyrin-Supported Nanocluster Catalysts for Ethane Oxidation to Ethanol

Abstract

Abstract: We demonstrate the use of gas phase metal hydroxide clusters to identify descriptors and generate scaling relationships for predicting catalytic performances of porphyrin-supported metal hydroxide catalysts. Using the gas phase clusters for these purposes takes just 5 % of the time that would have been required if the porphyrin-supported models had been used. Graphical Abstract: [Figure not available: see fulltext.]