Fourier transform infrared spectra of CH2DF:: The ν5 and ν6 bands

Results of a high-resolution infrared study of the spectroscopy of monodeuterated methyl fluoride, CH2DE are reported for the first time. Spectra ranging from 500 to 3300 cm(-1) have been obtained and cover all the fundamental bands at resolutions down to 0.005 cm(-1). The two lowest energy fundamentals, the nu (5) and nu (6) bands, have been analyzed in detail. Since the molecule has C-s symmetry, in principle both these bands are AB hybrids, since they belong to the irreducible representation A'. However, it was found that both are almost pure A-type bands. A total of 597 A-type lines of the nu (5) band and 619 A-type lines of the nu (6) band have been assigned. Vibrational and rotational spectroscopic constants have been determined by least-squares fitting to the data. An improved band center for nu (7) is also reported. (C) 2001 Academic Press.