Hydrogen atom transfer reactions of iron-porphyrin-imidazole complexes as models for histidine-ligated heme reactivity

J Am Chem Soc. 2008 Mar 5;130(9):2774-6. doi: 10.1021/ja711057t. Epub 2008 Feb 8.

Abstract

Hydrogen atom transfer (HAT) reactions of the bis(histidine) cytochrome active site models (TPP)FeII(ImH)2 (FeIIImH) and (TPP)Fe(Im)(ImH) (FeIIIIm) have been examined in acetonitrile solvent (TPP = tetraphenylporphyrin, ImH = 4-methylimidazole). The ascorbate derivative 5,6-isopropylidine ascorbate, hydroquinone, and the hydroxylamine TEMPOH all rapidly add H* to FeIIIIm to give FeIIImH. Similarly, the phenoxyl radical 2,4,6-tBu3C6H2O* and excess TEMPO* each oxidize FeIIImH to give FeIIIIm. On the basis of redox potential, pKa, and equilibrium measurements, the N-H bond in FeIIImH was found to have a bond dissociation free energy (BDFE) of 70 +/- 2 kcal mol(-1). A hydrogen atom transfer mechanism (concerted transfer of e- and H+) is indicated based on data for the ascorbate and TEMPO* reactions.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Heme / chemistry*
  • Histidine / chemistry*
  • Hydrogen / chemistry*
  • Imidazoles / chemistry*
  • Iron / chemistry*
  • Kinetics
  • Ligands
  • Models, Chemical
  • Molecular Structure
  • Porphyrins / chemistry*

Substances

  • Imidazoles
  • Ligands
  • Porphyrins
  • Heme
  • Histidine
  • imidazole
  • Hydrogen
  • Iron