0377501 - ÚFCH JH 2013 RIV GB eng J - Journal Article
Pracna, Petr - Ceausu-Velcescu, A. - Horneman, V. M.
The ground and ν6=1 vibrational levels of HC35Cl3: The first high-resolution analysis of the ν6 fundamental band.
Journal of Quantitative Spectroscopy and Radiative Transfer. Roč. 113, č. 11 (2012), s. 1220-1225. ISSN 0022-4073. E-ISSN 1879-1352
R&D Projects: GA MŠMT LC06071
Institutional support: RVO:61388955
Keywords : chloroform * high-resolution IR spectroscopy * fundamental bands
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.380, year: 2012 ; AIS: 0.733, rok: 2012
DOI: https://doi.org/10.1016/j.jqsrt.2012.01.024

The paper reports on the first high-resolution study of the weak ν6 fundamental rovibrational band of monoisotopic chloroform HC35Cl3. More than 4500 infrared transitions pertaining to the ν6 band have been assigned, spanning the rotational states J=0–95 and −73≤KΔK≤89. The new Fourier transform infrared data were combined with accurate submillimeter-wave transition frequencies in the v6=1 state measured previously [Journal of Molecular Structure 795; 2006: 157–162] in a simultaneous fit. The existence of resonance crossings due to the View the MathML sourcel-type resonance in the v6=1 state, which generated perturbation-allowed rotational transitions, provided independent values of the C and Cζ6 constants. When we combined them with the wavenumbers of the fundamental ν6 band, we were able to determine accurately the axial rotational constants in the vibrational ground state C0=0.05715783 (20) cm−1, View the MathML source=2.759 (63)10−8 cm−1, and even View the MathML source=−8.27 (75)10−14 cm−1.
Permanent Link: http://hdl.handle.net/11104/0209644