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.