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Supplementary Materials

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  • Fig. S1. 1H NMR (CD2Cl2, −25°C) spectrum of 1.
  • Fig. S2. Superposition of the IR spectra of (C^N^C)Au12COB(C6F5)3OAcF 2a and (C^N^C)Au13COB(C6F5)3OAcF 2a-13C.
  • Fig. S3. 1H NMR spectrum of 2a (CD2Cl2, −20°C).
  • Fig. S4. Stacked plot of the aromatic region of the 1H NMR spectra (CD2Cl2, −20°C) of (C^N^C)AuOAcF, (C^N^C)Au(CH2Cl2)+ 1, and (C^N^C)Au(CO)+ 2a.
  • Fig. S5. 13C NMR (CD2Cl2, −20°C) spectrum of 2a13.
  • Fig. S6. Monitoring by 1H NMR (CD2Cl2, −20°C) of the conversion of (C^N^C)Au(η2-C2H4)+ to (C^N^C)Au(13CO)+ (2a).
  • Fig. S7. 1H NMR spectrum of 3 (CD2Cl2, 25°C). The inset shows the t-butyl resonances.
  • Fig. S8. 13C NMR spectrum of complex 3-13C (CD2Cl2, 25°C).
  • Fig. S9. Monitoring by 1H and 13C NMR spectroscopy of the thermolysis of complex 3-13C in CD2Cl2.
  • Fig. S10. 1H NMR spectra of a solution of (C^N^C)AuOH in CD2Cl2 under 2 bar of CO at room temperature at different reaction times.
  • Fig. S11. Aromatic and hydride regions of the 1H NMR spectra of a solution of (C^N^C)AuOH in CD2Cl2 and after CO addition for 30 s.
  • Fig. S12. 1H NMR spectra in CD2Cl2 at room temperature of the aromatic region of (C^N^C)Au2O before and after its exposure to 2 bar of CO in the solid state.
  • Fig. S13. Superposition of the IR spectra of (C^N^C)Au2O in the solid state and after exposure to 2 bar of CO for 8 hours.
  • Fig. S14. 1H NMR spectrum of 4 (CD2Cl2, 25°C).
  • Fig. S15. Superposition of the IR spectra of (C^N^C)AuCO2Me 4 (red) and (C^N^C)AuOMe (blue) in the solid state.
  • Fig. S16. 1H NMR monitoring of the conversion of (C^N^C)AuOMe into (C^N^C)AuCO2Me 4 under 2 bar of 12CO at 25°C.
  • Fig. S17. Reactivity of (C^N^C)AuOMe and 13CO in the presence of moisture.
  • Fig. S18. Reaction of (C^N^C)AuOMe with (CO).
  • Fig. S19. HOMO-1, HOMO-2, and HOMO-3 for (C^N^C)Au(CO)+.
  • Fig. S20. Enthalpy and Gibbs free energy values for reaction steps as calculated by DFT (T = 298.15 K).
  • Table S1. Selected crystal data and structure refinement details for 3·C6H6.
  • Table S2. CDA and d/b ratios of 2, (C^N^N)Pt(CO)+, and Pt(CO)2Cl2.
  • DFT coordinates

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