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Keywords:

  • computational chemistry;
  • reductions;
  • ion pairing;
  • reaction mechanisms;
  • voltammetry
Thumbnail image of graphical abstract

Pairing effect: Varying the concentration of support electrolyte in the electrochemical EC2 reduction of 2,6-diphenylpyrylium reveals the presence of ion pairing between the electroactive species and BF4. Experiment and theory are shown to be in good agreement only if ion pairing is included in the simulations. This previously unanticipated effect is only observable if voltammetry is performed under conditions of weak support.