Infrared and Raman intensities of polyethylene and perdeuteropolyethylene by electro-optical parameters. Single chain

Abstract

An extension of the electro-optical theory of valence to the calculation of infrared and Raman intensities of the fundamentals of polymers is presented. The method is applied to the calculation of the infrared and Raman intensities of polyethylene and perdeuteropolyethylene. Parameters from small model molecules have been used. The results are satisfactory, thus providing further evidence that the electro-optical parameters are transferable. New infrared and Raman spectra of polyethylene and perdeuteropolyethylene have been recorded and are reported. Some implications of intensity calculations in the vibrational assignments of these two polymers are discussed.