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Cooperative sction for molecular debromination reaction on Cu(110)

AuthorsSarasola, Ane; Barragán, Ana; Vitali, Lucia
Issue Date2018
PublisherAmerican Chemical Society
CitationJournal of the American Chemical Society 140(46): 15631-15634 (2018)
AbstractCopper 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 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 neighboring complexes resulting in the formation of Cu-coordinated BTD structures.
Identifiersdoi: 10.1021/jacs.8b10329
e-issn: 1520-5126
issn: 0002-7863
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