The intermolecular potential of Ne–HCl: Determination from high-resolution spectroscopy

Abstract

A new intermolecular potential for Ne–HCl with HCl in its v=1 state is obtained by least-squares fitting to molecular-beam near-infrared laser spectra of the Ne–HCl and Ne–DCl van der Waals complexes. In agreement with previous potentials, the equilibrium geometry is found to be linear Ne–H–Cl, with a well depth around 64 cm−1. There is also a secondary minimum at the linear Ne–Cl–H geometry, with a depth around 57 cm−1, which arises because the Ne atom can approach closer to the Cl atom at the linear geometry than at a T-shaped geometry. The new potential is slightly less anisotropic than earlier potentials for HCl in its v=0 state. The fitted potential is used to calculate additional bound states of the Ne–HCl van der Waals complex, which have not yet been observed spectroscopically.