Experimental and theoretical studies of ni, pd and pt supramolecular polygons, self-assembled with 4,4´-bipyridine

Supramolecular polygons and polyhedral have many novel applications such as nanoreactors, molecular nanosensors, Host-guest chemistry, among others. In this work is presented the synthesis, characterization and comparison of supramolecular polygons selfassembled between complexes of type [M(dppe)(TOF)2], which have metal centers in the same group (M = Ni, Pd and Pt) and the organic molecule 4,4'-bipyridine. Analyses by UV -Vis , FT -IR , FT -Raman , 1H- 31P -, 1H COSY-and 19F- NMR, showed that the nickelcontaining complex only formed a square, while the palladium- and platinum-containing complexes formed a triangle–square equilibrium.In addition, PM6 calculations for the supramolecular complexes, considering cationic and neutral systems in the gas phase and in solution, were performed. These results reveal that for the three metals, regardless of the environment, the formation of squares is energetically favored over the formation of triangles. Furthermore, it is observed that the Ni centers favor more the formation of squares, whereas the Pt centers favor it less. These theoretical trends are in good agreement with the experimental results.

• Autores: Torres, Paulo C.; Moncada, Félix; Duarte Ruiz, Álvaro
• Tipo de recurso: Article of journal
• Fecha de publicación: 2013
• Institución: Universidad Nacional de Colombia
• Repositorio: Universidad Nacional de Colombia
• Idioma: spa
• OAI Identifier: oai:repositorio.unal.edu.co:unal/49819
• Acceso en línea: https://repositorio.unal.edu.co/handle/unal/49819; http://bdigital.unal.edu.co/43309/
• Palabra clave: Polígono supramolecular; estudios semiempíricos PM6; autoensamblaje; Supramolecular polygon; PM6 semiempirical studies; self-assembly
• Rights: openAccess
• License: Atribución-NoComercial 4.0 Internacional