Ferrioxamine siderophores are secreted by microbes to gather up essential iron needed within the organism via three hydroxamate binding groups.  Unfortunately, the reactive groups can also bind to transuranic metals if present.  Understanding the formation energetics within ferrioxamine siderophores could eventually aid in the extraction of nuclear waste from the environment.  To understand the plutonium siderophore binding interactions, the iron(III) siderophore binding interactions must first be understood.  Therefore, iron(III) hydroxamate complex binding reactions were investigated in both gas and solution phases using scalar-relativistic density functional theory.

Formation energetic analysis of gas and solution phase iron(III) aqua hydroxamate complexes

244th National Meeting (2012)

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