We have been directing spectroscopic methods mostly developed for the study of metalloenzymes to the definition of active sites in metallozeolites. In metalloenzymes the focus is on ~.1 wt.% metal ion in a large diamagnetic protein matrix, while in metallozeolites the active site corresponds to a small percentage of active metal ions in the presence of dominantly spectator ions. Thus site-selective spectroscopic approaches are required. Our studies on [Cu<sub>2</sub>O]<sup>2+</sup> and α-Fe/α-O intermediates in metallozeolites have defined their geometric and electronic structures and their activation for the conversion of methane to methanol and benzene to phenol. These studies further extend concepts developed for metalloenzymes (entatic state, cage effect, etc.) to metallozeolite reactivity.

Oxygen intermediates in Cu and Fe zeolites: Correlations to metalloenzymes

2019 Fall National Meeting

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