Vibrational Spectra of sym-Trioxane

The Raman spectra of liquid sym-trioxane contained in a sealed, electrically heated Raman tube, and of a crystalline aggregate and a single crystal of the compound, have been photographed with a 3-prism glass spectrograph of reciprocal linear dispersion 15 A/mm at 4358 A. The infrared spectrum of trioxane vapor has been reinvestigated with the aid of a 1-m absorption cell and a Perkin-Elmer double pass spectrometer equipped with CsBr, NaCl, and LiF prisms. The 17 active fundamentals have been assigned as follows: Species a1: 2853, 2792, 1496, 975, 943, 752, and 524 cm-1; species e: 3031, 2753, 1477, 1408, 1305, 1175, 1072, ca. 1050, ca. 460, and 307 cm-1. The spectra have been interpreted in detail, and their dependence upon the state of aggregation has been discussed.