Fig. 5: Mapping the dynamic evolution of the active center and hemilabile coordination. | Nature Communications

Fig. 5: Mapping the dynamic evolution of the active center and hemilabile coordination.

From: Elucidation of hemilabile-coordination-induced tunable regioselectivity in single-site Rh-catalyzed heterogeneous hydroformylation

Fig. 5

a In situ time-resolved Rh K-edge XAFS spectra of 5%Rh–POPs sample treated by mixture reactant (C3H6/CO/H2 = 1:1:1) for 20 min at 363 K. b In situ time-resolved FT-IR spectroscopy study of 5%Rh–POPs-active in mixture reactant (C3H6/CO/H2 = 1:1:1) feeding for 30 min at 363 K. c 31P MAS NMR spectra and the fitness of sample SI, SII, and SIII (sample SI: 5%Rh–POPs-active; sample SII: sample SI treated with C3H6 at 363 K; sample SIII: sample SII treated with syngas at 363 K). d Comparison of 1H{31P} HETCOR MAS NMR spectrum of SII and SIII, the corresponding 1H MAS NMR and 1H-31P CP MAS NMR are displayed on the top and left of the 2D spectrum (black line: sample SII, red line: sample SIII). e 1H-13C CP MAS NMR spectra of sample SI, SII, and SIII. f Schematic diagram described the dynamic evolution of the active center and hemilabile coordination under reaction conditions.

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