Dynamics of the NbCl5-catalyzed cycloaddition of propylene oxide and CO2: Assessing the dual role of the nucleophilic co-catalysts

Handle URI:
http://hdl.handle.net/10754/563660
Title:
Dynamics of the NbCl5-catalyzed cycloaddition of propylene oxide and CO2: Assessing the dual role of the nucleophilic co-catalysts
Authors:
D'Elia, Valerio; Ghani, Amylia Abdul; Monassier, Antoine; Sofack-Kreutzer, Julien; Pelletier, Jeremie; Drees, Markus; Vummaleti, Sai Vikrama Chaitanya ( 0000-0001-7276-2475 ) ; Poater, Albert; Cavallo, Luigi ( 0000-0002-1398-338X ) ; Cokoja, Mirza; Basset, Jean-Marie ( 0000-0003-3166-8882 ) ; Kühn, Fritz
Abstract:
A 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.
KAUST Department:
KAUST Catalysis Center (KCC); Physical Sciences and Engineering (PSE) Division; Chemical Science Program
Publisher:
Wiley-Blackwell
Journal:
Chemistry - A European Journal
Issue Date:
23-Jul-2014
DOI:
10.1002/chem.201400324
Type:
Article
ISSN:
09476539
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Chemical Science Program; KAUST Catalysis Center (KCC)

Full metadata record

DC FieldValue Language
dc.contributor.authorD'Elia, Valerioen
dc.contributor.authorGhani, Amylia Abdulen
dc.contributor.authorMonassier, Antoineen
dc.contributor.authorSofack-Kreutzer, Julienen
dc.contributor.authorPelletier, Jeremieen
dc.contributor.authorDrees, Markusen
dc.contributor.authorVummaleti, Sai Vikrama Chaitanyaen
dc.contributor.authorPoater, Alberten
dc.contributor.authorCavallo, Luigien
dc.contributor.authorCokoja, Mirzaen
dc.contributor.authorBasset, Jean-Marieen
dc.contributor.authorKühn, Fritzen
dc.date.accessioned2015-08-03T12:05:18Zen
dc.date.available2015-08-03T12:05:18Zen
dc.date.issued2014-07-23en
dc.identifier.issn09476539en
dc.identifier.doi10.1002/chem.201400324en
dc.identifier.urihttp://hdl.handle.net/10754/563660en
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.en
dc.publisherWiley-Blackwellen
dc.subjectcatalysisen
dc.subjectniobiumen
dc.subjectpropylene carbonateen
dc.subjectreaction mechanismsen
dc.titleDynamics of the NbCl5-catalyzed cycloaddition of propylene oxide and CO2: Assessing the dual role of the nucleophilic co-catalystsen
dc.typeArticleen
dc.contributor.departmentKAUST Catalysis Center (KCC)en
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentChemical Science Programen
dc.identifier.journalChemistry - A European Journalen
dc.contributor.institutionDepartment of Inorganic Chemistry/Molecular Catalysis, Catalysis Research Center, Technische Universität München, Ernst-Otto-Fischer-Straße 1, 85747 Garching bei München, Germanyen
dc.contributor.institutionDepartament de Química, University of Girona, Campus de Montilivi, 17071 Girona, Catalonia, Spainen
kaust.authorD'Elia, Valerioen
kaust.authorSofack-Kreutzer, Julienen
kaust.authorPelletier, Jeremieen
kaust.authorVummaleti, Sai Vikrama Chaitanyaen
kaust.authorCavallo, Luigien
kaust.authorBasset, Jean-Marieen
kaust.authorGhani, Amylia Abdulen
kaust.authorMonassier, Antoineen
kaust.authorPoater, Alberten
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