Fig. 6: Proposed mechanism of DHMFM− oxidation reactions according to the experimental and calculated Raman spectra. | Nature Communications

Fig. 6: Proposed mechanism of DHMFM− oxidation reactions according to the experimental and calculated Raman spectra.

From: Capturing critical gem-diol intermediates and hydride transfer for anodic hydrogen production from 5-hydroxymethylfurfural

Fig. 6

Experimental in situ Raman spectra 200–600 cm−1 (a) and 800-2000 cm−1 (b) of HMF oxidation reactions on Au–Ni electrode at 0.53–0.93 V and DFT calculated Raman spectra of DHMFM−-Au13 and HMFCA-Au13. c Illustration of DHMFM2− oxidation pathway on Au–Ni electrode. d Models of optimized DHMFM− and DHMFM2− and calculated charge distribution (red) of the cental-H atoms and length (blue, in Å) of the C–H bonds. The color for each element is white for H, gray for C, red for O, yellow for Au.

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