title: Dynamics of the NbCl5-catalyzed cycloaddition of propylene oxide and CO2 : assessing the dual role of the nucleophilic Co-catalysts.
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 (NBu4 Br) 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.
authors: KAUST Catalysis Centre, King Abdullah University of Science and Technology, Thuwal, 23955 (Kingdom of Saudi Arabia). valerio.delia@kaust.edu.sa.
authors: Valerio
authors: V
authors: D'Elia
authors: Amylia A
authors: AA
authors: Ghani
authors: Antoine
authors: A
authors: Monassier
authors: Julien
authors: J
authors: Sofack-Kreutzer
authors: Jeremie D A
authors: JD
authors: Pelletier
authors: Markus
authors: M
authors: Drees
authors: Sai V C
authors: SV
authors: Vummaleti
authors: Albert
authors: A
authors: Poater
authors: Luigi
authors: L
authors: Cavallo
authors: Mirza
authors: M
authors: Cokoja
authors: Jean-Marie
authors: JM
authors: Basset
authors: Fritz E
authors: FE
authors: Kühn
keywords: CO2 insertion; catalysis; niobium; propylene carbonate; reaction mechanisms