Vibrational analysis of phase III of poly (vinylidene fluoride)

Abstract

Normal coordinate calculations have been performed for an isolated chain having the conformation of phase III of poly (vinylidene fluoride). A valence force field, which was refined from phase I and phase II data, was transferred to the phase III chain calculation. The agreement between the calculated and observed spectra of phase III was good, and approximate normal mode assignments for most of the phase III bands were made. The geometric dependence of calculated frequencies and potential energy distribution for the phase I and phase II chain conformations were also studied.