Abstract
Normal modes and their dispersion have been obtained for trans polydichlorobutadiene (PDCB) in the reduced zone scheme using Wilson’s G F matrix method as modified by Higg’s for an infinite polymeric chain. The Urey Bradley potential field is obtained by least square fitting of the observed infrared and Raman bands. The obtained results agree well with the experimental values. Because of the presence of centre of symmetry, the PDCB molecule obeys the mutual exclusion principle. Several new assignments which are missing in the earlier work are reported. The characteristic features of dispersion curves such as repulsion and exchange of character have been discussed and possible explanation has been given. Heat capacity has been calculated via density-of-states using Debye relation in the temperature range 10–450 K.
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