VIBRATIONAL SPECTRA OF SOLID II ETHANE

Abstract

The infrared and Raman spectra of solid (II) ethane have been taken at 25 K. A group theoretical interpretation of the spectra in terms of a recently reported crystal structure gives good agreement. A normal mode calculation assuming gas phase internal force constants and three different non-bonded interaction potentials indicates a potential which include a coulombic term gives the best correlation among calculated and observed frequencies. Well depths for rotation about the C-C axis were also calculated for each of the interaction potentials: their effect on interpretation of the Raman lattice modes will be reported.