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

doi:10.1002/chem.201400324

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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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 language	English (US)
Pages (from-to)	11870-11882
Number of pages	13
Journal	Chemistry - A European Journal
Volume	20
Issue number	37
DOIs	https://doi.org/10.1002/chem.201400324
State	Published - Jul 23 2014

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General Chemistry

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D’Elia, V., Ghani, A. A., Monassier, A., Sofack-Kreutzer, J., Pelletier, J., Drees, M., Vummaleti, S. V. C., Poater, A., Cavallo, L., Cokoja, M., Basset, J.-M., & Kühn, F. (2014). Dynamics of the NbCl5-catalyzed cycloaddition of propylene oxide and CO2: Assessing the dual role of the nucleophilic co-catalysts. Chemistry - A European Journal, 20(37), 11870-11882. https://doi.org/10.1002/chem.201400324

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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 (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. {\textcopyright} 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.",

author = "Valerio D{\textquoteright}Elia and Ghani, {Amylia Abdul} and Antoine Monassier and Julien Sofack-Kreutzer and Jeremie Pelletier and Markus Drees and Vummaleti, {Sai V. C.} and Albert Poater and Luigi Cavallo and Mirza Cokoja and Jean-Marie Basset and Fritz K{\"u}hn",

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D’Elia, V, Ghani, AA, Monassier, A, Sofack-Kreutzer, J, Pelletier, J, Drees, M, Vummaleti, SVC, Poater, A, Cavallo, L, Cokoja, M, Basset, J-M & Kühn, F 2014, 'Dynamics of the NbCl5-catalyzed cycloaddition of propylene oxide and CO2: Assessing the dual role of the nucleophilic co-catalysts', Chemistry - A European Journal, vol. 20, no. 37, pp. 11870-11882. https://doi.org/10.1002/chem.201400324

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T1 - Dynamics of the NbCl5-catalyzed cycloaddition of propylene oxide and CO2: Assessing the dual role of the nucleophilic co-catalysts

AU - D’Elia, Valerio

AU - Ghani, Amylia Abdul

AU - Monassier, Antoine

AU - Sofack-Kreutzer, Julien

AU - Pelletier, Jeremie

AU - Drees, Markus

AU - Vummaleti, Sai V. C.

AU - Poater, Albert

AU - Cavallo, Luigi

AU - Cokoja, Mirza

AU - Basset, Jean-Marie

AU - Kühn, Fritz

N1 - KAUST Repository Item: Exported on 2020-10-01

PY - 2014/7/23

Y1 - 2014/7/23

N2 - 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.

AB - 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.

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SP - 11870

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JO - Chemistry - A European Journal

JF - Chemistry - A European Journal

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ER -

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

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