Rovibrational spectra of DCF3 in the 1000 cm−1 region: The ν5 = 1 and ν6 = 2 levels revisited

0360621 - ÚFCH JH 2012 RIV US eng J - Journal Article
Ceausu-Velcescu, A. - Pracna, Petr - Predoi-Cross, A.
Rovibrational spectra of DCF3 in the 1000 cm−1 region: The ν5 = 1 and ν6 = 2 levels revisited.
Journal of Molecular Spectroscopy. Roč. 267, 1-2 (2011), s. 150-157. ISSN 0022-2852. E-ISSN 1096-083X
R&D Projects: GA AV ČR IAA400400706; GA MŠMT LC06071
Institutional research plan: CEZ:AV0Z40400503
Keywords : deuterated fluoroform * high-resolution IR spectroscopy * anharmonic and vibration-rotation interactions
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.512, year: 2011

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.
Permanent Link: http://hdl.handle.net/11104/0198130