Abstract
At the averaged quadratic coupled-cluster (AQCC) level, a number of selected rare gas (Rg) containing systems have been studied using the quantum theory of atoms in molecules (QTAIM), natural bond orbital (NBO), and several other analysis methods. According to the criteria for a covalent bond, most of the Rg-M (Rg = He, Ne, Ar, Kr, Xe; M = Be, Cu, Ag, Au, Pt) bonds in this study are assigned to weak interactions instead of van der Walls or covalent ones. Our results indicate that the rare gas bond is a new kind of weak interaction, like the hydrogen bond for example.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have