Vibrational Modes Analysis of Poly (Vinylidene Fluoride-Trifluoroethylene)

The ground state geometry and vibrational modes of poly (vinylidene fluoride-trifluoroethylene) P(VDF-TrFE) molecular chains have been investigated by ab initio molecular orbital calculation. The gauche bonds in P(VDF-TrFE) are introduced by TrFE monomers. The vibrational modes are localized within all-trans segments. These results cause the infrared absorption weaker and diffused, and may be responsible for dielectric relaxation of the copolymers.