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A Mononuclear Non-Heme High-Spin Iron(III)-Hydroperoxo Complex as an Active Oxidant in Sulfoxidation Reactions

Title
A Mononuclear Non-Heme High-Spin Iron(III)-Hydroperoxo Complex as an Active Oxidant in Sulfoxidation Reactions
Authors
Kim, YM[Kim, Yun Mi]Cho, KB[Cho, Kyung-Bin]Cho, J[Cho, Jaeheung]Wang, BJ[Wang, Binju]Li, CS[Li, Chunsen]Shaik, S[Shaik, Sason]Nam, W[Nam, Wonwoo]
DGIST Authors
Cho, J[Cho, Jaeheung]
Issue Date
2013-06-19
Citation
Journal of the American Chemical Society, 135(24), 8838-8841
Type
Article
Article Type
Article
Keywords
Bond CleavagesChemical CompoundChemistryCovalent BondDensity Functional TheoryDFT CalculationElectronElectron Spin ResonanceExperimental EvidenceFerric CompoundsHeterocyclic CompoundsHydroperoxo ComplexIron(III) Hydroperoxo ComplexModels, MolecularNumber of ElectronsOxidantsOxidation-ReductionPeroxidesReaction PathwaysSpin StateSulfidesSulfoxidationSynthesis (Chemical)Unclassified Drug
ISSN
0002-7863
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. © 2013 American Chemical Society.
URI
http://hdl.handle.net/20.500.11750/3228
DOI
10.1021/ja404152q
Publisher
AMER CHEMICAL SOC
Files:
There are no files associated with this item.
Collection:
Emerging Materials ScienceETC1. Journal Articles


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