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Cooperative Action for Molecular Debromination Reaction on Cu(110)

Ane Sarasola, Ana Barragán, Lucia Vitali

J Am Chem Soc. 2018 Nov 21;140(46):15631-15634.

PMID: 30394739

Abstract:

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 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.

Chemicals Related in the Paper:

Catalog Number Product Name Structure CAS Number Price
AP15155416 4,7-Dibromobenzo[c]-1,2,5-thiadiazole 4,7-Dibromobenzo[c]-1,2,5-thiadiazole 15155-41-6 Price
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