Fig. 3: Mechanistic investigations of MF dehydrogenation. | Nature Catalysis

Fig. 3: Mechanistic investigations of MF dehydrogenation.

From: Methyl formate as a hydrogen energy carrier

Fig. 3

a, Arrhenius plot. b, KIE data. For the curve slopes, see Supplementary Table 9. c, Molecular details of the DFT calculations. E, PPh2. Red colour route: MF direct dehydrogenation. Blue colour route: MF hydrolysis followed by dehydrogenation. d, Solid-state structure of the key intermediate [H–Ru–OCOOCH3] without carbon-bound hydrogen atoms. The displacement ellipsoids correspond to 30% probability. e, Dehydrogenation comparison using the intermediate crystal [H–Ru–OCOOCH3] and its corresponding catalyst precursor C1.

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