The interaction energies of the Rg center dot NO+ cationic complexes: Rn center dot NO+

The equilibrium geometry and harmonic vibrational frequencies of Rn . NO+ a re calculated at the QCISD level of theory, employing an effective core pot ential augmented by a large, flexible diffuse and polarization valence spac e. The interaction energy is then calculated at the CCSD(T) level using a l arger basis set based on a different ECP. The trends in the bonding in the Rg . NO+ complexes (Rg = rare gas) are then noted, and it is confirmed that the major interaction in these species is the charge/induced-dipole intera ction. (C) 2000 Elsevier Science B.V. All rights reserved.