A normal coordinate analysis of trans-1,4-polychloroprene

The fundamental vibrational frequencies of an isolated chain of trans-1,4-polychloroprene have been calculated. The agreement between the calculated and experimentally observed crystalline frequencies supports the molecular model for the structure of trans-1,4-polychloroprene and the force field employed in the calculations. The results of the normal coordinate analysis indicate that there is essentially no coupling between adjacent translational repeat units of trans-1,4-polychloroprene.