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

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.