ANALYSIS OF THE HIGH-RESOLUTION FT-IR AND MILLIMETER-WAVE SPECTRA OF THE NU(5)=1 STATE OF CHF2CL

The infrared and millimeter-wave spectra of isotopically pure chlorodi fluoromethane (HCFC-22) have been investigated for the nu(5) = 1 excit ed state. IR spectra of CHF2 Cl-35 were recorded at room temperature w ith high resolution (0.0021 cm(-1), Bruker IFS 120 HR) in the region b etween 560 and 650 cm(-1). The spectral analysis of CHF2Cl allowed us to assign 7788 lines (J less than or equal to 70) to the nu(5) a/c-hyb rid band (nu(0) = 596.3714 cm(-1)). The millimeter-wave rotational spe ctrum for the nu(5) = 1 State was also assigned and measured in the fr equency range 8-340 GHz and J less than or equal to 78. The data set c ontains 208 transitions. The abundance of experimental data enabled us to perform a simultaneous least-squares fit of IR and MW data to dete rmine most of the molecular parameters describing the excited state. M oreover, we were able to determine approximate band centers for severa l hot bands in the region, which were not studied in detail. (C) 1996 Academic Press, Inc.