Structural Effects on the pH-Dependent Redox Properties of Organic Nitroxyls: Pourbaix Diagrams for TEMPO, ABNO, and Three TEMPO Analogs

J Org Chem. 2018 Jul 20;83(14):7323-7330. doi: 10.1021/acs.joc.7b02547. Epub 2017 Dec 13.

Abstract

Electrochemical studies of the reduction and oxidation reactions of five different organic nitroxyls have been performed across a wide pH range (0-13). The resulting Pourbaix diagrams illustrate structural effects on their various redox potentials and on the p Ka values of the corresponding hydroxylamine and hydroxylammonium ions. Evidence is also given for the reversible formation of a hydroxylamine N-oxide when nitroxyls are oxidized in alkaline media. Structural effects on the thermodynamics of this reaction are assessed.

Publication types

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

MeSH terms

  • Azabicyclo Compounds / chemistry*
  • Catalysis
  • Cyclic N-Oxides / chemistry*
  • Electrochemical Techniques
  • Hydrogen-Ion Concentration
  • Molecular Structure
  • Oxidation-Reduction

Substances

  • 9-azabicyclo(3.3.1)nonane-N-oxyl
  • Azabicyclo Compounds
  • Cyclic N-Oxides
  • TEMPO