Phonon Curves and Frequency Spectrum for Hydrogen-Bonded Systems: Solid HF and DF

Abstract

A few hydrogen‐bonded systems can be considered as polymers; hence, dispersion curves $\mathrm{\nu (}{k})$ and frequency distribution $\mathrm{g(\nu )}$ can be calculated. In the present paper molecular vibrations of a single chain of hydrogen‐bonded HF and DF are studied throughout the first Brillouin zone. k = 0 fundamental modes are calculated. From $\mathrm{\nu (}{k}$ and $\mathrm{g(\nu )}$ it is possible to propose a better interpretation of the previously reported inelastic neutron scattering spectrum. The limitations of the model used are discussed and suggestions for a more refined approach of the problem are given.