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dc.contributor.authorD’Elia, Valerio
dc.contributor.authorGhani, Amylia Abdul
dc.contributor.authorMonassier, Antoine
dc.contributor.authorSofack-Kreutzer, Julien
dc.contributor.authorPelletier, Jeremie
dc.contributor.authorDrees, Markus
dc.contributor.authorVummaleti, Sai V. C.
dc.contributor.authorPoater, Albert
dc.contributor.authorCavallo, Luigi
dc.contributor.authorCokoja, Mirza
dc.contributor.authorBasset, Jean-Marie
dc.contributor.authorKühn, Fritz
dc.date.accessioned2015-08-03T12:05:18Z
dc.date.available2015-08-03T12:05:18Z
dc.date.issued2014-07-23
dc.identifier.issn09476539
dc.identifier.pmid25056457
dc.identifier.doi10.1002/chem.201400324
dc.identifier.urihttp://hdl.handle.net/10754/563660
dc.description.abstractA mechanistic study on the synthesis of propylene carbonate (PC) from CO2 and propylene oxide (PO) catalyzed by NbCl5 and organic nucleophiles such as 4-dimethylaminopyridine (DMAP) or tetra-n-butylammonium bromide (NBu4Br) is reported. A combination of in situ spectroscopic techniques and kinetic studies has been used to provide detailed insight into the reaction mechanism, the formation of intermediates, and interactions between the reaction partners. The results of DFT calculations support the experimental observations and allow us to propose a mechanism for this reaction. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
dc.publisherWiley-Blackwell
dc.subjectcatalysis
dc.subjectniobium
dc.subjectpropylene carbonate
dc.subjectreaction mechanisms
dc.titleDynamics of the NbCl5-catalyzed cycloaddition of propylene oxide and CO2: Assessing the dual role of the nucleophilic co-catalysts
dc.typeArticle
dc.contributor.departmentKAUST Catalysis Center (KCC)
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Division
dc.contributor.departmentChemical Science Program
dc.identifier.journalChemistry - A European Journal
dc.contributor.institutionDepartment of Inorganic Chemistry/Molecular Catalysis, Catalysis Research Center, Technische Universität München, Ernst-Otto-Fischer-Straße 1, 85747 Garching bei München, Germany
dc.contributor.institutionDepartament de Química, University of Girona, Campus de Montilivi, 17071 Girona, Catalonia, Spain
kaust.personD’Elia, Valerio
kaust.personSofack-Kreutzer, Julien
kaust.personPelletier, Jeremie
kaust.personVummaleti, Sai V. C.
kaust.personCavallo, Luigi
kaust.personBasset, Jean-Marie
kaust.personGhani, Amylia Abdul
kaust.personMonassier, Antoine
kaust.personPoater, Albert


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