A mononuclear non-heme high-spin iron(III)-hydroperoxo complex as an active oxidant in sulfoxidation reactions

Yun Mi Kim, Kyung Bin Cho, Jaeheung Cho, Binju Wang, Chunsen Li, Sason Shaik, Wonwoo Nam

Research output: Contribution to journalArticlepeer-review

68 Scopus citations

Abstract

We report the first direct experimental evidence showing that a high-spin iron(III)-hydroperoxo complex bearing an N-methylated cyclam ligand can oxidize thioanisoles. DFT calculations showed that the reaction pathway involves heterolytic O-O bond cleavage and that the choice of the heterolytic pathway versus the homolytic pathway is dependent on the spin state and the number of electrons in the dxz orbital of the FeIII-OOH species.

Original languageEnglish
Pages (from-to)8838-8841
Number of pages4
JournalJournal of the American Chemical Society
Volume135
Issue number24
DOIs
StatePublished - 19 Jun 2013

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