Spectroscopic properties and potential-energy surfaces for T-shaped van der Waals complexes. Part 2.—The empirical potential surface for ArCO2

Abstract

Anisotropic potential-energy surfaces for Ar·CO₂ are obtained by a simultaneous least-squares fit to the molecular-beam electric resonance spectra, mixed second virial coefficients and mean-square torque measurements. Several methods of parametrisation of the potential are considered, including five-angle parametrisation of the radial potential and an explicit angular parametrisation of the well depth and radial minimum. These are considered to be superior to the conventional multipole parametrisation, which is not suitable for highly anisotropic systems.