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      Mechanistic Aspects of a Highly Active Dinuclear Zinc Catalyst for the Co-polymerization of Epoxides and CO2.

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          Abstract

          The dinuclear zinc complex reported by us is to date the most active zinc catalyst for the co-polymerization of cyclohexene oxide (CHO) and carbon dioxide. However, co-polymerization experiments with propylene oxide (PO) and CO2 revealed surprisingly low conversions. Within this work, we focused on clarification of this behavior through experimental results and quantum chemical studies. The combination of both results indicated the formation of an energetically highly stable intermediate in the presence of propylene oxide and carbon dioxide. A similar species in the case of cyclohexene oxide/CO2 co-polymerization was not stable enough to deactivate the catalyst due to steric repulsion.

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          Author and article information

          Journal
          Chemistry
          Chemistry (Weinheim an der Bergstrasse, Germany)
          Wiley
          1521-3765
          0947-6539
          May 26 2015
          : 21
          : 22
          Affiliations
          [1 ] Technische Universität München, WACKER-Lehrstuhl für Makromolekulare Chemie, Lichtenbergstraße 4, 85748 Garching (Germany).
          [2 ] Technische Universität München, Lehrstuhl für Anorganische Chemie, Lichtenbergstraße 4, 85748 Garching (Germany).
          [3 ] BASF SE, GM-B001, 67056 Ludwigshafen (Germany).
          [4 ] Technische Universität München, WACKER-Lehrstuhl für Makromolekulare Chemie, Lichtenbergstraße 4, 85748 Garching (Germany). rieger@tum.de.
          Article
          10.1002/chem.201406055
          25900151

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