Global frequency and intensity analysis of the v(10)/v(7)/v(4)/v(12) band system of (C2H4)-C-12 at 10 mu m using the D-2h Top Data System

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TitreGlobal frequency and intensity analysis of the v(10)/v(7)/v(4)/v(12) band system of (C2H4)-C-12 at 10 mu m using the D-2h Top Data System
Type de publicationJournal Article
Year of Publication2016
AuteursAlkadrou A., Bourgeois M.-T, Rotger M., Boudon V., J. Auwera V
JournalJOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER
Volume182
Pagination158-171
Date PublishedOCT
Type of ArticleArticle
ISSN0022-4073
Mots-clésethylene, global analysis, High-resolution infrared spectroscopy, Modeling, tensorial formalism
Résumé

A global frequency and intensity analysis of the infrared tetrad of (C2H4)-C-12 located in the 600-1500 cm(-1) region was carried out using the tensorial formalism developed in Dijon for X2Y4 asymmetric-top molecules. It relied on spectroscopic information available in the literature and retrieved from high-resolution Fourier transform infrared spectra recorded in Brussels in the frame of either the present or previous work. In particular, 645 and 131 line intensities have been respectively measured for the weak v(10) and v(4) bands. Including the Coriolis interactions affecting the upper vibrational levels 10(1), 7(1), 4(1) and 12(1), a total of 10 757 line positions and 1645 line intensities have been assigned and fitted with global root mean square deviations of 2.6 x 10(-4) cm(-1) and 2.5%, respectively. Relying on the results of the present work and available in the literature, a list of parameters for 65 776 lines in the v(10), v(7), v(4) and v(12) bands of (C2H4)-C-12 was generated. 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. (C) 2016 Elsevier Ltd. All rights reserved.

DOI10.1016/j.jqsrt.2016.05.024