A DFT study on the mechanism for polymerization of δ-valerolactone initiated by N-heterocyclic carbene (NHC) catalysts
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DOI: 10.1016/j.mcat.2021.111896
Abstract: Abstract Polymerization reactions using renewable raw material as substrate (namely, δ-valerolactone) and N-heterocyclic carbenes (NHC) as organocatalysts to form polyesters were investigated by computational approaches. Two routes were investigated for the reaction, either with the… read more here.
Keywords: mechanism polymerization; polymerization valerolactone; polymerization; study mechanism ... See more keywords