High-resolution far-infrared synchrotron FTIR spectroscopy and analysis of the [formula omitted], [formula omitted] and [formula omitted] bands of trioxane

Abstract

Ro–vibrational band spectra of the three ν20, ν7 and ν19 bands of 1, 3, 5-trioxane (H2CO)3 were recorded in the 50–650cm−1 range using a long path absorption cell coupled to a high resolution Fourier transform spectrometer and synchrotron radiation at the AILES beamline of the SOLEIL synchrotron. More than 16000 lines were assigned with a dRMS better than 0.17×10−3cm−1. Two different formalisms (tensorial and Watson) were used to derive accurate rotational and quartic parameters for the three bands and for the first time, a precise determination of Coriolis parameter and q+l−doubling constant for both ν20 and ν19 perpendicular bands was also obtained. Lastly, each set of spectroscopic parameters is compared and discussed between both formalisms.