Analysis of the ν 2 + ν 3 band of 12CH4 and 13CH4
Identifieur interne : 004334 ( Main/Exploration ); précédent : 004333; suivant : 004335Analysis of the ν 2 + ν 3 band of 12CH4 and 13CH4
Auteurs : J. C. Hilico [France] ; J. Degni [France] ; J. P. Champion [France] ; G. Guelachvili [France]Source :
- Journal of Molecular Spectroscopy [ 0022-2852 ] ; 1979.
Abstract
The ν2 + ν3 bands of 12CH4 and 13CH4 occurring in the region 4400–4650 cm−1 have been studied from spectra recorded with a high-resolution Fourier transform spectrometer (resolution better than 0.01 cm−1). Champion's Hamiltonian expansion, Canad. J. Phys. 55, 1802 (1977), is applied to the problem of the two interacting F1 and F2 vibrational sublevels of this type of a band. As the P branch of ν2 + ν3 is strongly overlapped by neighboring bands, a combination-difference method, adapted to tetrahedral XY4 molecules has been developed to help assignments of lines. A fit of 700 transitions has been performed using 13 new effective constants in the case of 12CH4. In the case of 13CH4, 532 transitions have been fit to 18 constants. The known parameters, relative to the vibrational ground state and the ν3 state for both methanes, and the ν2 state for 12CH4 were fixed throughout. Most of the perturbed levels, up to J′ = 12, are well reproduced and the general agreement between experimental and calculated transitions is satisfactory with standard deviations of 0.047 cm−1 (12CH4) and 0.041 cm−1 (13CH4). The results (order of magnitude of obtained (ν2 + ν3) parameters and comparison of observed and computed intensities) indicate that the ν2 + ν3 band is perturbed by many other bands.
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DOI: 10.1016/0022-2852(80)90192-7
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Guelachvili</name><affiliation wicri:level="1"><country xml:lang="fr">France</country><wicri:regionArea>Laboratoire d'Infrarouge (Laboratoire Associé au CNRS), Bâtiment 350, Campus d'Orsay, 91405 Orsay, Cedex</wicri:regionArea><wicri:noRegion>Cedex</wicri:noRegion><wicri:noRegion>Cedex</wicri:noRegion></affiliation></author></analytic><monogr></monogr><series><title level="j">Journal of Molecular Spectroscopy</title><title level="j" type="abbrev">YJMSP</title><idno type="ISSN">0022-2852</idno><imprint><publisher>ELSEVIER</publisher><date type="published" when="1979">1979</date><biblScope unit="volume">81</biblScope><biblScope unit="issue">2</biblScope><biblScope unit="page" from="277">277</biblScope><biblScope unit="page" to="302">302</biblScope></imprint><idno type="ISSN">0022-2852</idno></series><idno type="istex">7C819BB4A6C30437E4A99C757908100634363CD0</idno><idno type="DOI">10.1016/0022-2852(80)90192-7</idno><idno type="PII">0022-2852(80)90192-7</idno></biblStruct></sourceDesc><seriesStmt><idno type="ISSN">0022-2852</idno></seriesStmt></fileDesc><profileDesc><textClass></textClass><langUsage><language ident="en">en</language></langUsage></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">The ν2 + ν3 bands of 12CH4 and 13CH4 occurring in the region 4400–4650 cm−1 have been studied from spectra recorded with a high-resolution Fourier transform spectrometer (resolution better than 0.01 cm−1). Champion's Hamiltonian expansion, Canad. J. Phys. 55, 1802 (1977), is applied to the problem of the two interacting F1 and F2 vibrational sublevels of this type of a band. As the P branch of ν2 + ν3 is strongly overlapped by neighboring bands, a combination-difference method, adapted to tetrahedral XY4 molecules has been developed to help assignments of lines. A fit of 700 transitions has been performed using 13 new effective constants in the case of 12CH4. In the case of 13CH4, 532 transitions have been fit to 18 constants. The known parameters, relative to the vibrational ground state and the ν3 state for both methanes, and the ν2 state for 12CH4 were fixed throughout. Most of the perturbed levels, up to J′ = 12, are well reproduced and the general agreement between experimental and calculated transitions is satisfactory with standard deviations of 0.047 cm−1 (12CH4) and 0.041 cm−1 (13CH4). The results (order of magnitude of obtained (ν2 + ν3) parameters and comparison of observed and computed intensities) indicate that the ν2 + ν3 band is perturbed by many other bands.</div></front></TEI><affiliations><list><country><li>France</li></country><region><li>Bourgogne</li><li>Bourgogne-Franche-Comté</li></region><settlement><li>Dijon</li></settlement></list><tree><country name="France"><region name="Bourgogne-Franche-Comté"><name sortKey="Hilico, J C" sort="Hilico, J C" uniqKey="Hilico J" first="J. C." last="Hilico">J. C. Hilico</name></region><name sortKey="Champion, J P" sort="Champion, J P" uniqKey="Champion J" first="J. P." last="Champion">J. P. Champion</name><name sortKey="Degni, J" sort="Degni, J" uniqKey="Degni J" first="J." last="Degni">J. Degni</name><name sortKey="Guelachvili, G" sort="Guelachvili, G" uniqKey="Guelachvili G" first="G." last="Guelachvili">G. Guelachvili</name></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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