Theoretical study of the aggregation of d10-s2 Au(I)-Tl(I) complexes in extended unsupported chains
- Fernández, E.J. 2
- Laguna, A. 3
- López-de-Luzuriaga, J.M. 2
- Monge, M. 2
- Mendizabal, F. 1
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1
Universidad de Chile
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2
Universidad de La Rioja
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3
Instituto de Nanociencia y Materiales de Aragón
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ISSN: 0166-1280
Année de publication: 2008
Volumen: 851
Número: 1
Pages: 121-126
Type: Article
beta Ver similares en nube de resultadosD'autres publications dans: Journal of Molecular Structure: THEOCHEM
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Résumé
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.