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Global frequency and intensity analysis of the ν10/ν7/ν4/ν12 band system of 12C2H4 at 10 μm using the D2h Top Data System

By A. Alkadrou, Marie Thérèse Bourgeois, Maud Rotger, Vincent Boudon and Jean Vander Auwera

Abstract

A global frequency and intensity analysis of the infrared tetrad of 12C2H4 located in the 600-1500cm-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 ν10 and ν4 bands. Including the Coriolis interactions affecting the upper vibrational levels 101, 71, 41 and 121, a total of 10 757 line positions and 1645 line intensities have been assigned and fitted with global root mean square deviations of 2.6×10-4cm-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 ν10, ν7, ν4 and ν12 bands of 12C2H4 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.SCOPUS: ar.jinfo:eu-repo/semantics/publishe

Topics: Chimie, Physique atomique et moléculaire, Spectroscopie [électromagnétisme, optique, acoustique], Ethylene, Global analysis, High-resolution infrared spectroscopy, Modeling, Tensorial formalism
Publisher: 'Elsevier BV'
Year: 2016
DOI identifier: 10.1016/j.jqsrt.2016.05.024
OAI identifier: oai:dipot.ulb.ac.be:2013/245739
Provided by: DI-fusion
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