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Analysis of the High-Resolution FT-IR and Millimeter-Wave Spectra of the ν5= 1 State of CHF2Cl

✍ Scribed by Günter Klatt; Georges Graner; Stefan Klee; Georg Mellau; Zbigniew Kisiel; Lech Pszczółkowski; José Luis Alonso; Juan Carlos López

Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
153 KB
Volume
178
Category
Article
ISSN
0022-2852

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✦ Synopsis

The infrared and millimeter-wave spectra of isotopically pure chlorodifluoromethane (HCFC-22) have been investigated for the n 5 Å 1 excited state. IR spectra of CHF 2 35

Cl were recorded at room temperature with high resolution (0.0021 cm 01 , Bruker IFS 120 HR) in the region between 560 and 650 cm 01 . The spectral analysis of CHF 2 Cl allowed us to assign 7788 lines (J £ 70) to the n 5 a/c-hybrid band (n 0 Å 596.3714 cm 01 ). The millimeter-wave rotational spectrum for the n 5 Å 1 state was also assigned and measured in the frequency range 8-340 GHz and J £ 78. The data set contains 208 transitions. The abundance of experimental data enabled us to perform a simultaneous least-squares fit of IR and MW data to determine most of the molecular parameters describing the excited state. Moreover, we were able to determine approximate band centers for several hot bands in the region, which were not studied in detail.

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