Phonon dispersion and heat capacity in polyoxacyclobutane modification I

Normal modes of vibration and their dispersion for polyoxacyclobutane modification I (POCB I) have been obtained by using Urey–Bradley force field and the Wilson's GF matrix method as modified by Higgs. Characteristic features of the dispersion curves such as crossing, repulsion and regions of high density-of-states have been explained. Heat capacity measurements have been interpreted and the limitations of the present work discussed.