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Issue 10, 2013
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Ring-opening polymerization of racemic β-butyrolactone promoted by rare earth trisborohydride complexes towards a PHB-diol: an experimental and DFT study

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Abstract

The ring-opening polymerization (ROP) of racemic β-butyrolactone (BL), catalyzed by the homoleptic lanthanide trisborohydride complexes, [Ln(BH4)3(THF)3] with Ln = La, Nd, and Sm, is reported, together with a DFT study of the polymerization mechanism. Well-defined atactic α,ω-dihydroxytelechelic poly(3-hydroxybutyrate)s (PHBs), PHB diols, are thus synthesized (Mn up to 8000 g mol−1, 1.02 ≤ Đ ≤ 1.10) as evidenced both experimentally and computationally. DFT investigations also emphasize the lack of stereoselectivity of the catalyst although a high activity is energetically evidenced.

Graphical abstract: Ring-opening polymerization of racemic β-butyrolactone promoted by rare earth trisborohydride complexes towards a PHB-diol: an experimental and DFT study

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Publication details

The article was received on 13 Jan 2013, accepted on 05 Feb 2013 and first published on 22 Feb 2013


Article type: Paper
DOI: 10.1039/C3PY00056G
Citation: Polym. Chem., 2013,4, 3077-3087
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    Ring-opening polymerization of racemic β-butyrolactone promoted by rare earth trisborohydride complexes towards a PHB-diol: an experimental and DFT study

    S. M. Guillaume, L. Annunziata, I. D. Rosal, C. Iftner, L. Maron, P. W. Roesky and M. Schmid, Polym. Chem., 2013, 4, 3077
    DOI: 10.1039/C3PY00056G

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