Normal Vibrations of Polyacrylonitrile and Deuterated Polyacrylonitriles

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Abstract
Polarized infrared spectra of polyacrylonitrile, poly‐α‐deuteroacrylonitrile, poly‐β,β‐dideuteroacrylonitrile and poly‐α,β,β‐trideuteroacylonitrile have been measured in the region from 4000 to 200 cm—1. β,β‐dideuteroacrylonitrile was prepared by the hydrogen re‐exchange reaction of α,β,β‐trideuteroacrylonitrile with H2O in the presence of CaO. The calculations of the normal vibrations of polyacrylonitrile and these three polydeuteroacrylonitriles have been made, assuming a syndiotactic planar zigzag chain as the most simple model for calculation. The calculation was made by the use of the GF‐matrix method with the Urey—Bradley force field. The results show fairly good agreement between the observed and calculated frequencies. The assignments of the bands are given and discussed.