Title : Structural and Spectroscopic Evidence for a Side-on Fe(III)-Superoxo Complex Featuring Discrete O-O Bond Distances.

Pub. Date : 2021 Sep 27

PMID : 34604849






1 Functional Relationships(s)
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1 Density functional theory and ab initio calculations, which successfully reproduce spectroscopic parameters, predict a flat potential energy surface of an eta2-O2 motif binding to the iron center regarding the O-O distance. Iron DNA polymerase iota Homo sapiens