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Rovibrational spectra of DCF3 in the 1000 cm−1 region: The ν5 = 1 and ν6 = 2 levels revisited
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SYSNO ASEP 0360621 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Rovibrational spectra of DCF3 in the 1000 cm−1 region: The ν5 = 1 and ν6 = 2 levels revisited Author(s) Ceausu-Velcescu, A. (FR)
Pracna, Petr (UFCH-W)
Predoi-Cross, A. (CA)Source Title Journal of Molecular Spectroscopy. - : Elsevier - ISSN 0022-2852
Roč. 267, 1-2 (2011), s. 150-157Number of pages 8 s. Language eng - English Country US - United States Keywords deuterated fluoroform ; high-resolution IR spectroscopy ; anharmonic and vibration-rotation interactions Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects IAA400400706 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) LC06071 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) CEZ AV0Z40400503 - UFCH-W (2005-2011) UT WOS 000291715800021 DOI 10.1016/j.jms.2011.03.016 Annotation The degenerate fundamental vibrational level v5 = 1 (975.51 cm−1, E symmetry) and the overtone vibrational level v6 = 2 (1004.06/1005.98 cm−1, A1 + E symmetry) were reinvestigated with inclusion of their inter-vibrational couplings: the anharmonic Fermi interaction (ΔK=0, ΣtΔlt=Δl5+Δl6=±3), the second-order Coriolis resonance (ΔK=±1, ΣtΔlt=±1), and the second-order α-resonance (ΔK=minus-or-plus sign2, ΣtΔlt=±1). This required significant extension of assignments to high J and K rotational states where resonant crossings due to the latter two interactions occur. The newly assigned data from Fourier-transform IR spectroscopy were combined with rotational and laser-sideband rovibrational data pertaining to the v5 = 1 vibrational level, which were used already in a previous analysis, in a fully quantitative simultaneous fit. Workplace J. Heyrovsky Institute of Physical Chemistry Contact Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Year of Publishing 2012
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