Artículo de revista
Theoretical study of the closed-shell d(10)-d(10) Au(I)-Cu(I) attraction in complexes in extended unsupported chains
Fecha
2011-04Registro en:
COMPUTATIONAL AND THEORETICAL CHEMISTRY Volume: 965 Issue: 1 Pages: 163-167 Published: APR 2011
2210-271X
DOI: 10.1016/j.comptc.2011.01.040
Autor
Rodríguez Castillo, María
Monge, Miguel
López de Luzuriaga, José M.
Olmos, M. Elena
Laguna, Antonio
Mendizábal Emaldía, Fernando
Institución
Resumen
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.