Spectroscopic Identification of an FeIII Center, not FeIV, in the Crystalline Sc-O-Fe Adduct Derived from [FeIV(O)(TMC)]2+

Jai Prakash, Gregory T. Rohde, Katlyn K. Meier, Andrew J. Jasniewski, Katherine M. Van Heuvelen, Eckard Münck, Lawrence Que

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The apparent Sc3+ adduct of [FeIV(O)(TMC)]2+ (1, TMC = 1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane) has been synthesized in amounts sufficient to allow its characterization by various spectroscopic techniques. Contrary to the earlier assignment of a +4 oxidation state for the iron center of 1, we establish that 1 has a high-spin iron(III) center based on its Mössbauer and EPR spectra and its quantitative reduction by 1 equiv of ferrocene to [FeII(TMC)]2+. Thus, 1 is best described as a ScIII-O-FeIII complex, in agreement with previous DFT calculations (Swart, M. Chem. Commun. 2013, 49, 6650.). These results shed light on the interaction of Lewis acids with high-valent metal-oxo species.

Original languageEnglish (US)
Pages (from-to)3478-3481
Number of pages4
JournalJournal of the American Chemical Society
Issue number10
StatePublished - Mar 18 2015

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