High-resolution Far Infrared Spectroscopy And Analyses Of Trioxane

Richard, Cyril

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https://hdl.handle.net/2142/111584 Copy

Description

Title

High-resolution Far Infrared Spectroscopy And Analyses Of Trioxane

Author(s)

Richard, Cyril

Contributor(s)

• Asselin, Pierre
• Pirali, Olivier
• Boudon, Vincent

Issue Date

2021-06-25

Keyword(s)

Small molecules

Abstract

\begin{wrapfigure}{r}{0pt} \includegraphics[scale=0.2]{Trioxane.eps} \end{wrapfigure} Trioxane, (H$_2$CO)$_3$, is a symmetric top that belongs to the $C_{3v}$ symmetry group. The molecule owns 20 fundamental modes that are dispatched as 7 symmetric vibrations of type A1, 3 vibrations of type A2 and 10 doubly degenerate vibrations of type $E$. Infrared spectra of trioxane have been recorded in the 50--650 cm$^{-1}$ range using a high resolution Bruker IFS 125 interferometer located at the AILES beamline of the SOLEIL synchrotron facility. Owing to its higher brilliance in the far-infrared region, the SOLEIL synchrotron radiation was used to improve the signal-to-noise ratio of the spectrum at the maximal resolution of 0.001 cm$^{-1}$. We present here a detailed analysis and modeling of intense OCO deformation $\nu_7$ and $\nu_{19}$ modes as well as weaker CH$_2$ torsion $\nu_{20}$ mode and its first overtone 2$\nu_{20}$. Thanks to the formalism and programs developed in Dijon, we could determine accurately the effective Hamiltonian parameters for these 3 modes.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

Text

Language

eng

Permalink

http://hdl.handle.net/2142/111584

DOI

10.15278/isms.2021.FD07

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