Vibrational and deuterium NMR spectroscopic studies of the phase transition in solid cyclohexanone

Variable-temperature Raman and infrared spectroscopic methods have been used to examine the order-disorder phase transition in cyclohexanone. A factor group analysis predicts that the low-temperature phase has an orthorhombic unit cell wit C 2υ symmetry with two molecules per unit cell. Deuterium NMR line-shape studies show that, on heating, motional narrowing commences well below the phase-transition temperature of 235 K, and isotropic rotation occurs in the high-temperature phase