Global frequency and intensity analysis of the V10/V7/V4/V12 bands system of 12C2H4 at 10 μm using the D2H top data system

Boudon, Vincent

Permalink

https://hdl.handle.net/2142/91061 Copy

Description

Title

Global frequency and intensity analysis of the V10/V7/V4/V12 bands system of 12C2H4 at 10 μm using the D2H top data system

Author(s)

Boudon, Vincent

Contributor(s)

• Vander Auwera, Jean
• Rotger, Maud
• Alkadrou, Abdulsamee

Issue Date

2016-06-21

Keyword(s)

Vibrational structure/frequencies

Abstract

• "A global frequency and intensity analysis of the infrared tetrad located in the $600-1500$ cm$^{-1}$ region was carried out using the tensorial formalism developed in Dijon for X$_2$Y$_4$ asymmetric-top molecules\footnote{Raballand W, Rotger M, Boudon V, Lo{\""e}te M. J Mol Spectrosc 2003"
• 217:239--48.} and a program suite called $D_{2h}TDS$ (now part of the XTDS/SPVIEW spectroscopic software)\footnote {Wenger Ch, Boudon V, Rotger M, Champion JP, Sanzharov M. J Mol Spectrosc 2008
• 251:102--13.}. It relied on spectroscopic information available in the literature and retrieved from absorption spectra recorded in Brussels using a Bruker IFS 120 to 125 HR upgraded Fourier transform spectrometer, in the frame of either the present or previous work\footnote{Rotger M, Boudon V, Vander Auwera J. J Quant Spectrosc Radiat Transf 2008
• 109:952-62.}. In particular, 645 and 131 lines intensities have been respectively measured for the weak $\nu_{10}$ and $\nu_4$ bands. Including the Coriolis interactions affecting the upper vibrational levels $10^1$, $7^1$, $4^1$ and $12^1$, a total of 10737 line positions and 1870 line intensities have been assigned and fitted with global root mean square deviations of $2.6 \times 10^{-4}$ cm$^{-1}$ and {2.4} \%, respectively. Relying on the results of the present work and available in the literature, a list of parameters for 65420 lines in the $\nu_{10}$, $\nu_{7}$, $\nu_{4}$ and $\nu_{12}$ bands of $^{12}$C$_2$H$_4$ was generated. The present work provides an obvious improvement over HITRAN and GEISA for the $\nu_{10}$ band (see figure), and a marginally better modeling for the $\nu_{7}$ band (and for the $\nu_{4}$ band hidden beneath it). To the best of our knowledge, this is the first time that a global intensity analysis is carried out in this range of the ethylene spectrum.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

En

Permalink

http://hdl.handle.net/2142/91061

Copyright and License Information

Copyright 2016 by the authors

Owning Collections