The spectrum of the intermolecular vibration of water

Abstract

This analysis has been made with the purpose of evaluating the influence on the intermolecular vibration spectrum of the size and structure of water molecular associations and the angle of turn of a molecule in relation to the H-bonds. Force constants for ice and for a number of molecular associations(mostly stable by quantum-mechanical calculations) have been determined. For the associations concerned, intermolecular vibration spectra have been calculated after taking into account some spectral effects of hydrogen bonds. It has been shown that the two observed libration bands of liquid water resulted from two modes of vibration of bonded water molecules, not from two kinds of molecules in the liquid phase.