Abstract
AbstractAmong the synthetic polymers of commercial potential, poly‐butadiene is an important rubbery material and it encompasses the bulk elastomers in use. To the best of our knowledge, a complete normal coordinate analysis with full phonon dispersion curves for cis 1,4 polybutadiene (CPBD) have not been reported so far. In the present communication, we report a complete normal coordinate analysis with full dispersion curves, density‐of‐states and calculation of heat capacity. The normal coordinate analysis has been carried out using the Urey‐Bradley force field and the Wilson's GF matrix method as modified by Higgs. A comparison has been made with trans 1,4 polybutadiene (TPBD). The prominent features of the dispersion curves like crossing over and regions of zero‐slope away from the zone centre are discussed. To check the validity of the force field used and the assignments, normal mode calculations are also performed for unsaturated C‐deuterated and fully deuterated CPBD.
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