A DFT study of the mechanism of polymerization of epsilon-caprolactone initiated by organolanthanide borohydride complexes.

The mechanisms of polymerization of epsilon-caprolactone (CL) initiated by either the rare-earth hydride [Cp2Eu(H)] or the borohydrides [Cp2Eu(BH4)] or [(N2NN')Eu(BH4)] were studied at the DFT level (Cp=eta5-C5H5; N2NN'=(2-C5H4N)CH2(CH2CH2NMe)2). For all compounds the reaction proceeds in...

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Bibliographic Details
Main Authors: Barros, N, Mountford, P, Guillaume, S, Maron, L
Format: Journal article
Language:English
Published: 2008