1. Dipartimento di Scienze Chimiche, Università di Catania viale A. Doria 6, 95125 Catania (Italy), Fax: (+39)?095‐580138;2. Dipartimento di Chimica, Università della Basilicata, via N. Sauro 85, 85100 Potenza (Italy)
Abstract:
Ab initio computations performed on LaF3?Arn (n=1–21) complexes allow a quantification of the short‐range many‐body interactions arising in the argon matrix. It is shown that the molecular properties of LaF3 are strongly influenced by the embedding medium. The largest investigated cluster, LaF3?Ar21, resembles an hcp structure with the LaF3 molecule occupying the central substitutional site (see figure).
