Fig. 4: Catalytic mechanism study of Fe-P900-PCC for hydrogenation of quinoline.
From: Graphitic phosphorus coordinated single Fe atoms for hydrogenative transformations
Energies of intermediates (int) and transition states (TS) in the mechanism of quinoline stepwise hydrogenation on the O2-Fe-P4 from DFT calculations. IS initial state, FS final state.
