Fig. 6: Experimental evaluation of generated ROP catalysts. | Nature Communications

Fig. 6: Experimental evaluation of generated ROP catalysts.

From: Artificial intelligence driven design of catalysts and materials for ring opening polymerization using a domain-specific language

Fig. 6

a Scheme for polymerization reaction for experimental. b Selected and SME modified catalysts from Fig. 5 for experimental evaluation. c Plot of Mn, GPC versus monomer conversion for 5c and 5d in the polymerization of 2a. d Plot of dispersity versus monomer conversion for 5c and 5d in the polymerization of 2a. e Overlay of 1H NMR spectra in benzene-d6 showing the association of 5a to 2a and the observed in the change in chemical shift of the N–H protons of 5a. The blue 1H NMR spectrum shows a mixture of 5a and 2a. The black 1H NMR spectrum shows 5a alone with its N–H protons labeled with the numbers 1 or 2. See Supplementary Fig. 23 for 1H NMR association of 4c with 2a. 4-MBA = 4-methylbenzyl alcohol, DBU = 1,8-diazabicyclo[5.4.0]undec-7-ene. Source data for c and d are provided as a Source Data file.

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