A kinetic investigation of carbon dioxide insertion processes involving anionic tungsten-alkyl and -aryl derivatives: effects of carbon dioxide pressure, counterions, and ancillary ligands. Comparisons with migratory carbon monoxide insertion processes
“…83 This is consistent with our understanding that CO 2 insertion does not involve its prior coordination to the metal center, based on experimental kinetics studies. [84][85][86][87][88][89] Preliminaries aside, the rst theoretical examination of the CO 2 -epoxide copolymerization catalyzed by (salen)M(III) complexes was performed by Luinstra et al in 2005. This older study made use of a minimal salen-like ligand for computational efficiency that was found to give results equivalent to the full salen complex.…”
Section: Cobalt(iii) and Chromium(iii)-catalyzed Routesmentioning
The production of polycarbonates from carbon dioxide and epoxides is an important route by which waste CO2 is converted into useful products. This review surveys the use of computational chemistry toward understanding this reaction.
“…83 This is consistent with our understanding that CO 2 insertion does not involve its prior coordination to the metal center, based on experimental kinetics studies. [84][85][86][87][88][89] Preliminaries aside, the rst theoretical examination of the CO 2 -epoxide copolymerization catalyzed by (salen)M(III) complexes was performed by Luinstra et al in 2005. This older study made use of a minimal salen-like ligand for computational efficiency that was found to give results equivalent to the full salen complex.…”
Section: Cobalt(iii) and Chromium(iii)-catalyzed Routesmentioning
The production of polycarbonates from carbon dioxide and epoxides is an important route by which waste CO2 is converted into useful products. This review surveys the use of computational chemistry toward understanding this reaction.
“…Although the inuence of these factors on CO 2 insertion into metal hydrides has been studied, 5 there is limited information on how these variables affect CO 2 insertion into metal alkyl bonds. [6][7][8][9][10][11][12][13] These reactions are particularly important because they can result in the generation of products containing C-C bonds from CO 2 , which has been identied as a high priority research target by the United States National Academies of Science. 2 For example, group 10 catalysts have been used for the reductive carboxylation of a variety of alkyl halides and pseudo halides.…”
The kinetics of carbon dioxide insertion into a pincer-supported palladium methyl complex are studied. The complex inserts carbon dioxide at room temperature, and we explore both solvent and Lewis acid effects on carbon dioxide insertion.
“…[8][9][10] The supports also include Al 2 O 3 , TiO 2 , SiO 2 , ZrO 2 , TiO 2 and CeO 2 . [4][5][6][7][8][9][10][11][12] Although the reaction mechanism of CO 2 methanation has also been investigated, there are still arguments on the nature of the intermediate compound involved in the process and on the methane formation scheme. The reaction mechanisms have been classified into two main categories.…”
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