Single-Crystal Infrared and Raman Spectra of Cyanuric Chloride

Abstract

The single-crystal infrared and Raman spectra of cyanuric chloride, 1,3,5-trichlorotriazine, were measured at 298 and 77°K. A complete assignment for the intramolecular fundamentals was made, including a study of a modified valence force field. Intensity predictions from the oriented gas model qualitatively agreed with the experimental results for the intensity of the free molecule Raman-active bands. Spectral measurements in the low-frequency region resulted in the assignment of several bands to the optically active lattice modes of cyanuric chloride.