Vibrational Analysis of Polymeric Hydrogen Fluoride: Cyclic (HF)6

Abstract

The molecular vibrations of cyclic (HF)6 are studied. The consequences of complex characters for irreducible representations of the appropriate point group (C6h) are elucidated. The secular equation of the vibrational problem is solved in terms of real coordinates. Those of the degenerate species were obtained by a transformation of the complex symmetry coordinates. The force constants were taken from solid HF data. Mean amplitudes of vibration were calculated and compared with electron diffraction results.