On the Covalent Character of Rare Gas Bonding Interactions: A New Kind of Weak Interaction

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.