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Cooperative action for molecular debromination reaction on Cu(110)

AuthorsBarragán, Ana; Sarasola, Ane; Vitali, Lucia
Issue Date1-Jul-2019
CitationIVC-21 (2019)
AbstractThe metal-catalyzed coupling of halobenzene derivatives leading to biaryls and larger carbon-based structures is a fundamental reaction in chemical synthesis. Copper is the paradigmatic catalyzer of the Ullmann cross-coupling reaction. Despite this, its role in the reaction is still under debate. Here, we shed light on the mechanistic steps of the debromination, characterizing a prototypical molecule, namely 4,7-dibromobenzo[c]-1,2,5-thiadiazole (2Br-BTD), deposited on a Cu(110) surface. By means of scanning probe techniques and first principle calculations, we demonstrate the oxidative addition of Cu atoms leading to a -C-Cu-Br metal-organic complex. The scission of the strongly bound bromine atoms requires the cooperative action of neighbouring complexes resulting in the formation of Cu coordinated BTD structures.
DescriptionTrabajo presentado en el 21st International Vacuum Conference (IVC-21), celebrada en Malmö (Suecia), del 1 al 5 de julio de 2019
Appears in Collections:(CFM) Comunicaciones congresos
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