Vibrational band contours of symmetric top molecules

Abstract

Vibrational spectroscopy is increasingly being used as a tool for research into the condensed ohase, on a molecular scale. R.G. Cordon has interpreted the intensity moments of infra-red bands, taken about the band centre, in terms of the rotational kinetic energy of the molecules and intermolecular potential energies between the molecules. Gordon has also suggested that interpretation of a frequency spectrum can be aided by transforming the spectrum into a time domain function, which is related to molecular motion on a picosecond time scale. The aim of this work is toinvestigate the practical aspects of Gordon's momenttheory and to utilise the theory to extract information about molecular interactions in the condensed phase, with the help of the time domain function. Specific interactions between benzene and various solvents will be analysed.