k=0 vibrational spectrum for solid orthorhombic HCl

Abstract

The harmonic k=0 lattice vibration spectrum of orthorhombic HCl has been determined employing a potential model consisting of dipolar, quadrupolar, and exponential‐6 atom–atom interactions. The hydrogen bond has been simulated using a model due to Lippincott and Schroeder. By fitting the calculated frequencies to the low temperature vibrational data, the parameters which appear in the potential model have been determined subject to the constraint that the lattice equilibrium conditions are satisfied. Comparison is made with available experimental data.