Abstract
A study of the normal modes of vibration and their dispersion in polyfuran (Pfu) based on the Urey–Bradley force field is reported. It provides a detailed interpretation of IR and Raman spectra. Characteristic features of dispersion curves such as regions of high density-of-states, repulsion and character mixing of dispersive modes are discussed. Predictive values of heat capacity as a function of temperature are calculated.
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More From: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
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