A morphed intermolecular bending potential of OC–HCl

Abstract

A morphed intermolecular bending potential energy surface (PES) has been generated for the dimer OC–HCl. This morphed potential is determined from gas phase spectroscopic data and found to have a global minimum with a well depth of 694.9 cm −1 and linear OC–HCl geometry having R CM = 4.25 Å, θ CO = 180.0°, θ HCl = 180.0°, and ϕ = 0.0°. The isomer CO–HCl is predicted with a well depth of 375.9 cm −1 and geometry R CM = 4.05 Å, θ CO = 0.0°, θ HCl = 180.0°, and ϕ = 0.0°, which corresponds to a Δ E = 319.0 cm −1 between these potential energy minima.