Vibrational spectra and computer simulations of 18O-labelled NaY zeolites

Abstract

The Raman, mid- and far-IR spectra of NaY and ¹⁸ O-labelled NaY are presented and compared with spectra calculated by a shell model and by a simple valence force field. The calculations of the kinetic-energy distribution (KED) and the potential-energy distribution (PED) were used to assign experimentally observed bands to normal modes.