Interaction of Neutral and Ionic Metal Clusters with Noble Gas Atoms;Theoretical Investigation

The interactions between noble metals and noble gas atoms have become of great interest in theoretical and experimental investigations due to their respective noble characters. In recent years many effort has been expanded to prepare and characterize the systems in which a noble metal like Au, Ag, and Cu is bound to a noble gas. During the last few years, noble metal clusters have attracted great attention in basic science due to their unique physical and chemical properties. These metals clusters play an important role in several high technology fields such as nanoelectronic and nanomaterials. Most of the experimental works have been investigated the structure, electronic and optical properties of metal cluster in embedding rare gas matrix. However there has been rarely attention on the interaction of metal clusters with noble gas atoms. In the present work, calculation have been carried out in complexes (M = Cu, Ag and Au; Rg = Kr, Xe and Rn; ȣ = ۰ and ±۱) and the nature of M–Rg bond has been investigated based on NBO, QTAIM, and EDA analysis.