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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 Y.M.Cho K.-B.Cho J.Wang B.Li C.Shaik S.Nam W.
Ewha Authors
남원우조재흥
SCOPUS Author ID
남원우scopus
Issue Date
2013
Journal Title
Journal of the American Chemical Society
ISSN
0002-7863JCR Link
Citation
vol. 135, no. 24, pp. 8838 - 8841
Indexed
SCI; SCIE; SCOPUS WOS scopus
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.
DOI
10.1021/ja404152q
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자연과학대학 > 화학·나노과학전공 > Journal papers
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