On the covalent character of rare gas bonding interactions: a new kind of weak interaction.

@article{Zou2013OnTC,
  title={On the covalent character of rare gas bonding interactions: a new kind of weak interaction.},
  author={Wenli Zou and Davood Nori-Shargh and James E. Boggs},
  journal={The journal of physical chemistry. A},
  year={2013},
  volume={117 1},
  pages={207-12}
}
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… CONTINUE READING