Correlation between phenol structure and catalytic activity of samarium(III) phenolates in polymerization of ɛ-caprolactone

Six novel single component catalysts, Sm(III) phenolates, for the ring-opening polymerization of ɛ-caprolactone were synthesized The experimental results were discussed together with quantum chemical (QC) calculation data describing the phenols' geometric and charge distribution parameters in organized groups. Tertbutyls' electronic and steric effects on phenolates' catalytic activity and ROP characteristics were found with both experimental and calculational support.