DFT study of the ring opening polymerization of ε-caprolactone by grafted lanthanide complexes: 2--Effect of the initiator ligand.

Abstract

The influence of the initiator ligand on the Ring Opening Polymerization (ROP) of ε-caprolactone by lanthanide complexes grafted on silica have been investigated by means of density functional theory (DFT) calculations. Three different initiator ligands (alkyl, dialkylamido and borohydride) and three grating modes (mono-grafted, bi-grafted or bi-grafted… (More)
DOI: 10.1039/c1dt10567a

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