A N3S(thioether)-ligated Cu(II)-superoxo with enhanced reactivity

J Am Chem Soc. 2015 Mar 4;137(8):2796-9. doi: 10.1021/ja511504n. Epub 2015 Feb 20.

Abstract

Previous efforts to synthesize a cupric superoxide complex possessing a thioether donor have resulted in the formation of an end-on trans-peroxo-dicopper(II) species, [{(Ligand)Cu(II)}2(μ-1,2-O2(2-))](2+). Redesign/modification of previous N3S tetradentate ligands has now allowed for the stabilization of the monomeric, superoxide product possessing a S(thioether) ligation, [((DMA)N3S)Cu(II)(O2(•-))](+) (2(S)), as characterized by UV-vis and resonance Raman spectroscopies. This complex mimics the putative Cu(II)(O2(•-)) active species of the copper monooxygenase PHM and exhibits enhanced reactivity toward both O-H and C-H substrates in comparison to close analogues [(L)Cu(II)(O2(•-))](+), where L contains only nitrogen donor atoms. Also, comparisons of [(L)Cu(II/I)](n+) compound reduction potentials (L = various N4 vs (DMA)N3S ligands) provide evidence that (DMA)N3S is a weaker donor to copper ion than is found for any N4 ligand-complex.

Publication types

  • Research Support, N.I.H., Extramural

MeSH terms

  • Copper / chemistry*
  • Ligands
  • Models, Molecular
  • Molecular Conformation
  • Organometallic Compounds / chemistry*
  • Oxygen / chemistry*
  • Sulfides / chemistry*

Substances

  • Ligands
  • Organometallic Compounds
  • Sulfides
  • Copper
  • Oxygen