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The Vibrational Spectrum of Isotactic Polystyrene I: Normal Coordinate Calculations of the Completely Deuterated Polymer

Volume 38, Number 2 (April 1984) Page 184-190

Painter, Paul C.; Howe, Stephen E.; Coleman, Michael M.


The normal modes and dispersion curves of completely deuterated isotactic polystyrene (IPS-d8) have been calculated using a previously developed force field. A good agreement was found between the calculated frequencies and those observed in the experimental infrared and Raman spectra. The results obtained are important to our subsequent study of the effect of mass defects on the vibrational spectrum of IPS.