Rovibrational spectra of DCF3 in the 2000cm−1 region: A high-resolution study of the v5=2 and v2=v5=1 levels

[Display omitted] •First modeling of the 2ν5/ν5+2ν6 and ν2+ν5/ν2+2ν6 dyads of DCF3, near 2000cm−1.•Fermi and Coriolis interactions extrapolated from the ν5/2ν6 system.•A quantitative reproduction of the available experimental data has been achieved. The high-resolution infrared spectrum of DCF3 was...

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Bibliographic Details
Published in:Journal of molecular spectroscopy 2014-11, Vol.305, p.1-9
Main Authors: Ceausu-Velcescu, Adina, Pracna, Petr, Predoi-Cross, Adriana
Format: Article
Language:English
Subjects:
Combination bands
Deuterated fluoroform
Overtone bands
Physics
Reduced Hamiltonian
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Summary:[Display omitted] •First modeling of the 2ν5/ν5+2ν6 and ν2+ν5/ν2+2ν6 dyads of DCF3, near 2000cm−1.•Fermi and Coriolis interactions extrapolated from the ν5/2ν6 system.•A quantitative reproduction of the available experimental data has been achieved. The high-resolution infrared spectrum of DCF3 was investigated in the 2000cm−1 region, with the aim of assigning and analyzing the overtone bands 2ν5 (A1+E), as well as the combination band ν2+ν5 (E). The present paper reports on the first high-resolution study of the v2=v5=1 and v5=2 levels, through the analysis of the combination ν2+ν5 and the overtone 2ν5∓2 bands respectively. This analysis can be thought of as a necessary step toward the reinvestigation of the complicated vibrational pattern in the CD stretching fundamental region.
ISSN:0022-2852
1096-083X
DOI:10.1016/j.jms.2014.09.002