Abstract
Abstract The pressure effect on the phase transitions in hexamethylbenzene and hexa(methyl-d3)benzene crystals was studied compared with the temperature effect on the phase transitions. The transition from phase II to phase III of hexa(methyl-d3)benzene crystal takes place under lower pressure than that for hexamethylbenzene crystal. The change in the spectral structure due to the intermolecular vibrations caused by an increase in the pressure indicates that the marked interaction between the intermolecular rotational vibration and the intramolecular methyl torsional vibration of hexa(methyl-d3)benzene crystal takes place under lower pressure than that for hexamethylbenzene crystal. These facts suggest that the intramolecular methyl torsional vibration plays an important role for the II-to-III phase transition in hexamethylbenzene crystals.
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