title: Mechanistic Aspects of a Highly Active Dinuclear Zinc Catalyst for the Co-polymerization of Epoxides and CO2.
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.
authors.affiliation: Technische Universität München, WACKER-Lehrstuhl für Makromolekulare Chemie, Lichtenbergstraße 4, 85748 Garching (Germany).
authors.forename: Stefan
authors.initials: S
authors.lastname: Kissling
authors.affiliation: Technische Universität München, WACKER-Lehrstuhl für Makromolekulare Chemie, Lichtenbergstraße 4, 85748 Garching (Germany).
authors.forename: Peter T
authors.initials: PT
authors.lastname: Altenbuchner
authors.affiliation: Technische Universität München, WACKER-Lehrstuhl für Makromolekulare Chemie, Lichtenbergstraße 4, 85748 Garching (Germany).
authors.forename: Maximilian W
authors.initials: MW
authors.lastname: Lehenmeier
authors.affiliation: Technische Universität München, Lehrstuhl für Anorganische Chemie, Lichtenbergstraße 4, 85748 Garching (Germany).
authors.forename: Eberhardt
authors.initials: E
authors.lastname: Herdtweck
authors.affiliation: BASF SE, GM-B001, 67056 Ludwigshafen (Germany).
authors.forename: Peter
authors.initials: P
authors.lastname: Deglmann
authors.affiliation: BASF SE, GM-B001, 67056 Ludwigshafen (Germany).
authors.forename: Uwe B
authors.initials: UB
authors.lastname: Seemann
authors.affiliation: Technische Universität München, WACKER-Lehrstuhl für Makromolekulare Chemie, Lichtenbergstraße 4, 85748 Garching (Germany). rieger@tum.de.
authors.forename: Bernhard
authors.initials: B
authors.lastname: Rieger
keywords: carbon dioxide; co-polymerization; density functional calculations; epoxides; zinc