Fig. 4: Catalytic mechanism for the hydrogenation of nitrobenzene. | Nature Communications

Fig. 4: Catalytic mechanism for the hydrogenation of nitrobenzene.

From: Unprecedentedly high activity and selectivity for hydrogenation of nitroarenes with single atomic Co1-N3P1 sites

Fig. 4

Primary isotope effect observed on a Co1/NC and b Co1/NPC. Reaction conditions: 5 mg catalyst, 2 mmol nitrobenzene, 40 mL EtOH/H2O (D2O) (v:v = 4:1), 110 °C, 3 MPa H2 (D2). Energies profiles for H2 dissociation pathways of c Co1/NC and d Co1/NPC samples. IS initial state, TS transition state, FS final state.

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