In Situ X‐ray Absorption Spectroscopy to Study the Dehydrogenation and Decomposition Mechanisms of an Iridium Pincer Catalyst Exposed to Gaseous Isopropanol

Abstract On‐site hydrogen gas production from hydrogen‐rich liquids offers a clean alternative to fossil fuels for combustion that is readily implemented in existing energy infrastructure. A heterogenized (POCOP)‐Ir pincer catalyst can be operated at higher temperatures for higher turnover frequency, but the reaction pathway of the reported complex has not been well understood. Here, we report intermediary states and propose a reaction mechanism for the catalyzed dehydrogenation of isopropanol by in situ X‐ray absorption spectroscopy at elevated temperatures. We identify that the catalytic resting states have the same oxidation state (+1), an insignificance of catalyst poisoning by CO contaminants, and the heat‐induced deactivation pathway resulting in Ir nanoparticles leached from the complex.