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 (29–40)
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