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Theoretical study of the closed-shell d10–d10 Au(I)–Cu(I) attraction in complexes in extended unsupported chains

✍ Scribed by María Rodríguez-Castillo; Miguel Monge; José M. López-de-Luzuriaga; M. Elena Olmos; Antonio Laguna; Fernando Mendizabal

Book ID: 104016810
Publisher: Elsevier
Year: 2011
Tongue: English
Weight: 304 KB
Volume: 965
Category: Article
ISSN: 2210-271X
DOI: 10.1016/j.comptc.2011.01.040

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✦ Synopsis

I)

Copper(I) a b s t r a c t Model compounds are used to study the metallophilic attraction between gold and copper atoms. Ab initio calculations on dimers and tetramers in different distributions of the simplified units are analyzed. An attraction is found for all models and there is a reasonable agreement between the experimental and theoretical geometries.

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