High-resolution far-infrared synchrotron FTIR spectroscopy and analysis of the ν 7 , ν 19 and ν 20 bands of trioxane

C Richard (1) , P Asselin (2) , V Boudon (1)

1 ICB - Laboratoire Interdisciplinaire Carnot de Bourgogne
2 MONARIS - De la Molécule aux Nanos-objets : Réactivité, Interactions et Spectroscopies

Rovibrational bands spectra of three ν20, ν7 and ν19 bands of 1, 3, 5 – trioxane (H2CO)3 were recorded in the 50–650 cm−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 16 000 lines were assigned with a dRMS better than 0.17 × 10−3 cm−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 obtained. Last, each set of spectroscopic parameters is compared and discussed between both formalisms.

Mots clés: High-Resolution Infrared Spectroscopy; Line positions; Tensorial Formalism; Watson’s Formalism; Synchrotron radiation

Domaines: Chimie théorique et/ou physique

C Richard, P Asselin, V Boudon. High-resolution far-infrared synchrotron FTIR spectroscopy and analysis of the ν 7 , ν 19 and ν 20 bands of trioxane. Journal of Molecular Spectroscopy, 2022, 386, pp.111614. ⟨hal-03774884⟩