Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5418499 | Journal of Molecular Structure: THEOCHEM | 2008 | 6 Pages |
Abstract
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.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Eduardo J. Fernández, Antonio Laguna, José M. López-de-Luzuriaga, Miguel Monge, Fernando Mendizabal,