Calculation of the Raman frequency as a function of pressure for the phases of I, III, IV and V in cyclohexane

Abstract

The Raman frequencies of the ν5 mode are calculated as a function of pressure up to 10GPa (room temperature) for the phases I, III, IV and V of cyclohexane using the volume data from the literature by means of the isothermal mode Grüneisen parameter γT of this mode.Our results indicate that the Raman frequency can be calculated from the volume data at various pressures by a single mode Grüneisen parameter as we have studied here for the phases of I, III, IV and V of cyclohexane. This method of calculating the Raman frequencies can be applied to some other molecular crystals.