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Title: Mechanistic insight into the formation of cinnamates in phosphine-free Heck reactions
Authors: Petrović, Vladimir
Markovic, Svetlana
Petrović, Zorica
Journal: Monatshefte fur Chemie
Issue Date: 1-Nov-2012
Abstract: A mechanistic study of the formation of cinnamates in phosphine-free Heck reactions was performed. Pathways for migratory insertion, β-hydride elimination, and catalyst recovery were elucidated using density functional theory (DFT) methods. It was shown that catalyst recovery is the rate-determining step of the overall Heck catalytic cycle. © Springer-Verlag 2012.
Type: article
DOI: 10.1007/s00706-012-0808-3
ISSN: 00269247
SCOPUS: 84870362123
Appears in Collections:Faculty of Science, Kragujevac

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