Science Advances

Supplementary Materials

This PDF file includes:

  • Section S1. Calculations
  • Section S2. Representative NMR spectra for MS-CPET reactions
  • Section S3. Characterization of lactone 2
  • Section S4. Reaction mechanism and thermodynamics
  • Section S5. Kinetics
  • Section S6. DFT-calculated coordinates
  • Fig. S1. Summary of DFT-calculated thermodynamics.
  • Fig. S2. DFT-calculated structures.
  • Fig. S3. Representative 1H-NMR spectra for the oxidation of 1.
  • Fig. S4. Representative 1H-NMR spectra for the reduction of 3+.
  • Fig. S5. Representative 1H-NMR spectra for the reduction of 5.
  • Fig. S6. IR spectra for the oxidation of 1.
  • Fig. S7. 1H-NMR investigation of proton exchange in 1-d1.
  • Fig. S8. Representative stopped-flow data.
  • Fig. S9. Dependence of kobs on MeOH for the reaction of 1 + N(ArOMe) 2(ArBr) +•.
  • Table S1. Summary of key structural and energetic results from DFT screening calculations.
  • References (2940)

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