The molecular structure of poly(p-phenylene 1,3,4-oxadiazole) (POD) is
investigated using i.r. and Raman spectroscopy. Both methods reveal c
haracteristic differences for the alpha- and beta-POD forms that are m
ost obvious in the spectral region between 1500 and 1650 cm(-1). The s
pectra for dimer and tetramer compounds already show the same features
as found for longer chains. Based on molecular modelling calculations
these differences are assigned to cia and trans conformations of the
main chain segments. High pressure measurements show a linear shift of
the Raman lines and support the result of the thermodynamic stability
of the trans conformation. (C) 1997 Elsevier Science Ltd.