A two-state reactivity model explains unusual kinetic isotope effect patterns in C-H bond cleavage by nonheme oxoiron(IV) complexes

Eric J. Klinker, Sason Shaik, Hajime Hirao, Lawrence Que

Research output: Contribution to journalArticlepeer-review

87 Scopus citations

Abstract

It's in the bond: The cleavage of C H bonds by two related oxoiron(IV) complexes shows a range of kinetic isotope effect (KIE) values that exhibit an unusual dependence on the C H bond strength. Large nonclassical KIEs are observed for bond strengths below 93 kcal mol-1, while semiclassical values are found above this value (see graph, DHA=9,10- dihydroanthracene). This nonintuitive behavior can be rationalized by invoking a two-state reactivity model.

Original languageEnglish (US)
Pages (from-to)1291-1295
Number of pages5
JournalAngewandte Chemie - International Edition
Volume48
Issue number7
DOIs
StatePublished - Feb 2 2009

Keywords

  • Bioinorganic chemistry
  • Iron
  • Isotope effects
  • Isotopic labeling
  • Two-state reactivity

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