Structures of nonheme oxoiron(IV) complexes from X-ray crystallography, NMR spectroscopy, and DFT calculations

Eric J. Klinker, József Kaizer, William W. Brennessel, Nathaniel L. Woodrum, Chris Cramer, Larry Que

Research output: Contribution to journalArticlepeer-review

195 Scopus citations

Abstract

(Figure Presented) Stabilizing the oxoiron(IV) unit: From a combination of X-ray crystallography, NMR spectroscopy, and DFT calculations, the relative thermal stabilities of two oxoiron(IV) complexes with pentaaza ligands, such as that shown in the picture, can be ascribed to the number of pyridine rings that are oriented parallel to the Fe= O bond. (Fe pink, N blue, O red, C black.).

Original languageEnglish (US)
Pages (from-to)3690-3694
Number of pages5
JournalAngewandte Chemie - International Edition
Volume44
Issue number24
DOIs
StatePublished - Jun 13 2005

Keywords

  • Bioinorganic chemistry
  • Density functional calculations
  • Iron
  • NMR spectroscopy
  • Nitrogen heterocycles

Fingerprint Dive into the research topics of 'Structures of nonheme oxoiron(IV) complexes from X-ray crystallography, NMR spectroscopy, and DFT calculations'. Together they form a unique fingerprint.

Cite this