High-resolution spectroscopy of C 2 H 3 D: Line positions and energy structure of the strongly interacting ν 10 ,ν 7 ,ν 8 ,ν 4 and ν 6 bands.

Autor: Ulenikov ON; Research School of High-Energy Physics, National Research Tomsk Polytechnic University, Tomsk 634050, Russia. Electronic address: Ulenikov@mail.ru., Bekhtereva ES; Research School of High-Energy Physics, National Research Tomsk Polytechnic University, Tomsk 634050, Russia., Gromova OV; Research School of High-Energy Physics, National Research Tomsk Polytechnic University, Tomsk 634050, Russia., Morzhikova YB; Research School of High-Energy Physics, National Research Tomsk Polytechnic University, Tomsk 634050, Russia., Sydow C; Institut für Physikalische und Theoretische Chemie, Technische Universität Braunschweig, D - 38106 Braunschweig, Germany., Berezkin K; Institut für Physikalische und Theoretische Chemie, Technische Universität Braunschweig, D - 38106 Braunschweig, Germany., Maul C; Institut für Physikalische und Theoretische Chemie, Technische Universität Braunschweig, D - 38106 Braunschweig, Germany., Bauerecker S; Institut für Physikalische und Theoretische Chemie, Technische Universität Braunschweig, D - 38106 Braunschweig, Germany. Electronic address: s.bauerecker@tu-bs.de.
Jazyk: angličtina
Zdroj: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy [Spectrochim Acta A Mol Biomol Spectrosc] 2022 Oct 15; Vol. 279, pp. 121401. Date of Electronic Publication: 2022 May 18.
DOI: 10.1016/j.saa.2022.121401
Abstrakt: High resolution infrared spectra of C 2 H 3 D were recorded in the region of 550-1950 cm -1 with a Bruker IFS125 HR Fourier transform infrared spectrometers and rotational structures of the five lowest strongly interacting ν 10 , ν 7 ,ν 8 ,ν 4 and ν 6 bands were analyzed. The number of about 28000 transitions (4200/6800/5600/5000/6400 for the bands ν 10 ,ν 7 ,ν 8 ,ν 4 and ν 6 ) with J max  = 40 and K a max  = 20 were assigned to these five bands. The weighted fit of 3990 upper energy values obtained from the experimentally recorded transitions was made with a Hamiltonian which takes into account resonance interactions between all studied bands as well as with the sixth ν 3 band which was considered in this case as a "dark" one. As the result of analysis, a set of 279 fitted parameters was obtained which reproduces the initial 3990 upper "experimental" ro-vibrational energy values with the d rms =1.7×10 -4  cm -1 ; the initial nonsaturated, unblended and not very weak of 28000 assigned transitions are reproduced with the d rms =2.2×10 -4  cm -1 . Ground state parameters of the C 2 H 3 D molecule were improved as well.
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Databáze: MEDLINE
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