title: Upside Down! Crystallographic and Spectroscopic Characterization of an [Fe IV(O syn)(TMC)]2+ Complex.
abstract: Fe(II)(TMC)(OTf)2 reacts with 2-(t)BuSO2-C6H4IO to afford an oxoiron(IV) product, 2, distinct from the previously reported [Fe(IV)(Oanti)(TMC)(NCMe)](2+). In MeCN, 2 has a blue-shifted near-IR band, a higher ν(Fe═O), a larger Mössbauer quadrupole splitting, and quite a distinct (1)H NMR spectrum. Structural analysis of crystals grown from CH2Cl2 reveals a complex with the formulation of [Fe(IV)(Osyn)(TMC)(OTf)](OTf) and the shortest Fe(IV)═O bond [1.625(4) Å] found to date.
authors.affiliation: Department of Chemistry and Center for Metals in Biocatalysis, University of Minnesota , Minneapolis, Minnesota 55455, United States.
authors.forename: Jai
authors.initials: J
authors.lastname: Prakash
authors.affiliation: Department of Chemistry and Center for Metals in Biocatalysis, University of Minnesota , Minneapolis, Minnesota 55455, United States.
authors.forename: Gregory T
authors.initials: GT
authors.lastname: Rohde
authors.affiliation: Department of Chemistry, Carnegie Mellon University , Pittsburgh, Pennsylvania 15213, United States.
authors.forename: Katlyn K
authors.initials: KK
authors.lastname: Meier
authors.affiliation: Department of Chemistry, Carnegie Mellon University , Pittsburgh, Pennsylvania 15213, United States.
authors.forename: Eckard
authors.initials: E
authors.lastname: Münck
authors.affiliation: Department of Chemistry and Center for Metals in Biocatalysis, University of Minnesota , Minneapolis, Minnesota 55455, United States.
authors.forename: Lawrence
authors.initials: L
authors.lastname: Que