Many research groups have investigated tripodal iron coordination complexes as possible catalysts in small molecule activation chemistry. To contribute to this growing body of research, we have used computational chemistry to predict the properties of iron complexes in tripodal ligand environments. Specifically, we have modeled compounds using the PBeh-3c composite method and used this method to calculate infrared vibrational data and redox potentials of the compounds. We have synthesized tripodal iron complexes using the nitrilotriacetate ligand. We will describe the crystallographic, spectroscopic, and electrochemical characterization of these complexes.

Characterization of iron(III) coordination complexes in a tripodal ligand environment

2019 Spring National Meeting

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