2016 |
Gallardo-Fuentes, S; Contreras, R; Isaacs, M; Honores, J; Quezada, D; Landaeta, E; Ormazabal-Toledo, R On the Mechanism of Co2 Electro-Cycloaddition to Propylene Oxides Artículo de revista Journal of Co2 Utilization, 16 , pp. 114-120, 2016, ISSN: 2212-9820. Resumen | Enlaces | BibTeX | Etiquetas: atmospheric calculations, capture carbonate catalyst co2 co2, complexes, conversion, cyclic density dioxide, efficient electro-cycloaddition, electrochemical functional high-capacity, ionic liquids, mechanism, reaction recovery, reduction, salen synthesis, system @article{RN327, title = {On the Mechanism of Co2 Electro-Cycloaddition to Propylene Oxides}, author = { S. Gallardo-Fuentes and R. Contreras and M. Isaacs and J. Honores and D. Quezada and E. Landaeta and R. Ormazabal-Toledo}, url = {/brokenurl#<Go to ISI>://WOS:000389089200013}, doi = {10.1016/j.jcou.2016.06.007}, issn = {2212-9820}, year = {2016}, date = {2016-01-01}, journal = {Journal of Co2 Utilization}, volume = {16}, pages = {114-120}, publisher = {2016 Elsevier Ltd.}, abstract = {We herein present a systematic study on the mechanism of CO2 electro-cycloaddition to propylene oxide, using both experimental and theoretical procedures. The study considers the analysis of mild and sustainable conditions to obtain cyclic carbonates from CO2 recycling. Within the electrochemical approach, the application of an overpotential in the reaction enhances the reaction yield significantly with respect to the thermal pathway. The quantum-mechanical approach provides relevant information about the reaction mechanism. Specifically, the use of the Lewis acid catalyst Mg2+ in the presence of the [C(4)C(1)Im][Br] ionic liquid provides the best condition for the electro-synthesis. The theoretical predictions were confirmed by a new set of experiments.}, keywords = {atmospheric calculations, capture carbonate catalyst co2 co2, complexes, conversion, cyclic density dioxide, efficient electro-cycloaddition, electrochemical functional high-capacity, ionic liquids, mechanism, reaction recovery, reduction, salen synthesis, system}, pubstate = {published}, tppubtype = {article} } We herein present a systematic study on the mechanism of CO2 electro-cycloaddition to propylene oxide, using both experimental and theoretical procedures. The study considers the analysis of mild and sustainable conditions to obtain cyclic carbonates from CO2 recycling. Within the electrochemical approach, the application of an overpotential in the reaction enhances the reaction yield significantly with respect to the thermal pathway. The quantum-mechanical approach provides relevant information about the reaction mechanism. Specifically, the use of the Lewis acid catalyst Mg2+ in the presence of the [C(4)C(1)Im][Br] ionic liquid provides the best condition for the electro-synthesis. The theoretical predictions were confirmed by a new set of experiments. |
2016 |
On the Mechanism of Co2 Electro-Cycloaddition to Propylene Oxides Artículo de revista Journal of Co2 Utilization, 16 , pp. 114-120, 2016, ISSN: 2212-9820. |