Polymerization of trimethylene carbonate and lactones in the presence of magnesium monoionolate: A comparative theoretical and experimental study |
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| Authors: | I. E. Nifant’ev P. V. Ivchenko A. V. Shlyakhtin A. V. Ivanyuk |
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| Affiliation: | 1.Faculty of Chemistry,Moscow State University,Moscow,Russia;2.Topchiev Institute of Petrochemical Synthesis,Russian Academy of Sciences,Moscow,Russia |
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| Abstract: | Using quantum-chemical calculations (DFT, program Priroda), the formation of a catalyst species on the basis of magnesium complexes with 2,6-di-tert-butyl-4-methylphenol is discussed. A comparative theoretical and experimental study of the ring-opening polymerization of trimethylene carbonate, 1,4-dioxanone, δ-valerolactone, and ε-caprolactone in the presence of the monoionolate magnesium complex is performed. It is shown that the calculated values of activation barriers correlate with the observed order of activity of cyclic esters. The maximum rate of polymerization is exhibited by trimethylene carbonate. |
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