High-resolution far-infrared synchrotron FTIR spectroscopy and analysis of the ν7ν_7, ν19ν_{19} and ν20ν_{20} bands of trioxane

preprint2022arXivOpen access

Abstract

Rovibrational bands spectra of three ν20ν_{20}, ν7ν_7 and ν19ν_{19} bands of 1, 3, 5 -- trioxane (H2_2CO)3_3 were recorded in the 50--650 cm−1^{-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 0.17×10−30.17\times10^{-3} cm−1^{-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+q_+ l−l-doubling constant for both ν20ν_{20} and ν19ν_{19} perpendicular bands was obtained. Last, each set of spectroscopic parameters is compared and discussed between both formalisms.

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