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

Valerio D’Elia, Amylia Abdul Ghani, Antoine Monassier, Julien Sofack-Kreutzer, Jeremie Pelletier, Markus Drees, Sai V. C. Vummaleti, Albert Poater, Luigi Cavallo, Mirza Cokoja, Jean-Marie Basset, Fritz Kühn

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55 Scopus citations

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.
Original languageEnglish (US)
Pages (from-to)11870-11882
Number of pages13
JournalChemistry - A European Journal
Volume20
Issue number37
DOIs
StatePublished - Jul 23 2014

ASJC Scopus subject areas

  • Chemistry(all)

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