Université Paul Sabatier - Bat. 3R1b4 - 118 route de Narbonne 31062 Toulouse Cedex 09, France

décembre 2020 :

Rien pour ce mois

novembre 2020 | janvier 2021


Accueil > Séminaires > 2012

New advances in the study of the aromaticity of inorganic clusters and fullerenes

Miquel Solà, Universitat de Girona (Girone, Espagne)

Séminaire LCPQ/LCC

Salle de séminaire IRSAMC

Aromaticity is a central concept in a central science such as Chemistry. Aromaticity is widely used in modern chemistry for the interpretation of molecular structure, stability, reactivity, and magnetic properties of many compounds. As such its reliable prediction is an important task of theoretical chemistry. In recent years, many methods to quantify aromaticity based on different physicochemical properties of molecules have been proposed. However, the non-observable nature of aromaticity makes difficult to assess the performance of the numerous existing indices to measure it. This is especially true in the case of the recently discovered all-metal and semimetal aromatic clusters for which the presence of multifold aromaticity and the lack of reference systems (like benzene in classical aromatic organic molecules) make the measure of aromaticity much more complicated.

More in pdf file below...