Journal
CHEMISTRY-A EUROPEAN JOURNAL
Volume 20, Issue 37, Pages 11870-11882Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/chem.201400324
Keywords
catalysis; CO2 insertion; niobium; propylene carbonate; reaction mechanisms
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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.
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