%0 Journal Article %1 RN327 %A Gallardo-Fuentes, S. %A Contreras, R. %A Isaacs, M. %A Honores, J. %A Quezada, D. %A Landaeta, E. %A Ormazabal-Toledo, R. %D 2016 %I 2016 Elsevier Ltd. %J Journal of Co2 Utilization %K atmospheric calculations, capture carbonate catalyst co2 co2, complexes, conversion, cyclic density dioxide, dqcauchile efficient electro-cycloaddition, electrochemical functional high-capacity, ionic liquids, mechanism, reaction recovery, reduction, salen synthesis, system, %P 114-120 %R 10.1016/j.jcou.2016.06.007 %T On the Mechanism of Co2 Electro-Cycloaddition to Propylene Oxides %U /brokenurl#<Go to ISI>://WOS:000389089200013 %V 16 %X 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)ImBr ionic liquid provides the best condition for the electro-synthesis. The theoretical predictions were confirmed by a new set of experiments.

@article{RN327, 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. }, added-at = {2019-12-04T03:57:35.000+0100}, author = {Gallardo-Fuentes, S. and Contreras, R. and Isaacs, M. and Honores, J. and Quezada, D. and Landaeta, E. and Ormazabal-Toledo, R.}, biburl = {https://www.bibsonomy.org/bibtex/2d7f2a7ceaac95e7d3d1715d7dd16a44b/dqcauchile}, doi = {10.1016/j.jcou.2016.06.007}, interhash = {489dc2cf512e187b5530aa74f778726b}, intrahash = {d7f2a7ceaac95e7d3d1715d7dd16a44b}, issn = {2212-9820}, journal = {Journal of Co2 Utilization}, keywords = {atmospheric calculations, capture carbonate catalyst co2 co2, complexes, conversion, cyclic density dioxide, dqcauchile efficient electro-cycloaddition, electrochemical functional high-capacity, ionic liquids, mechanism, reaction recovery, reduction, salen synthesis, system,}, pages = {114-120}, publisher = {2016 Elsevier Ltd.}, timestamp = {2019-12-04T03:58:17.000+0100}, title = {On the Mechanism of Co2 Electro-Cycloaddition to Propylene Oxides}, type = {Journal Article}, url = {/brokenurl#<Go to ISI>://WOS:000389089200013}, volume = 16, year = 2016 }