Artículo de revista
Theoretical study of the aggregation of d10-s2 Au(I)-Tl(I) complexes in extended unsupported chains
Fecha
2008Registro en:
Journal of Molecular Structure: THEOCHEM, Volumen 851, Issue 1-3, 2018, Pages 121-126
01661280
10.1016/j.theochem.2007.11.004
Autor
Fernández, Eduardo J.
Laguna, Antonio
López de Luzuriaga, José M.
Monge, Miguel
Mendizábal Emaldía, Fernando
Institución
Resumen
Model compounds are used to study the metallophilic attraction between gold and thallium atoms. Ab initio calculations on dimers and tetramers in different distributions of the minimal units are analyzed. An attraction is found for all models and there is a reasonable agreement between the experimental and theoretical geometries at the HF and MP2 levels. © 2007 Elsevier B.V. All rights reserved.