Cyclic Carbonate Formation from Epoxides and CO(2) Catalyzed by Sustainable Alkali Halide–Glycol Complexes: A DFT Study to Elucidate Reaction Mechanism and Catalytic Activity

[Image: see text] We provide a comprehensive DFT investigation of the mechanistic details of CO(2) fixation into styrene oxide to form styrene carbonate, catalyzed by potassium iodide–tetraethylene glycol complex. A detailed view on the intermediate steps of the overall reaction clarifies the role o...

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Detalles Bibliográficos
Autores principales: Butera, Valeria, Detz, Hermann
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7391370/
https://www.ncbi.nlm.nih.gov/pubmed/32743180
http://dx.doi.org/10.1021/acsomega.0c01572

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7391370/
https://www.ncbi.nlm.nih.gov/pubmed/32743180
http://dx.doi.org/10.1021/acsomega.0c01572

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