RADIOFREQUENCY, MICROWAVE, SUBMILLIMETER-WAVE, AND HIGH-RESOLUTION INFRARED-SPECTRA OF THE UPSILON(6)=1 VIBRATIONAL-STATE OF CDF3

The theory of reduction of the effective relational Hamiltonians of E. I. Lobodenko et al [J. Mol. Spectrosc. 126, 159-170 (1987)] is review ed and completed to take into account correctly relations between the parameters of the reduced Hamiltonians for isolated vibrational states of species E of C-3 upsilon molecules, The effect of the phase factor s on the symmetry of the Wang-type wavefunctions [K. Yamada, Z. Naturf orsch. A 38, 821-834 (1983)] is eliminated by a new definition of the symmetrized wavefunctions and the sign ambiguities in the fitted spect roscopic parameters are related directly to the type of experimental d ata, Results are applied to the upsilon(6) = 1 vibrational state of CD F3, in which frequencies of 135 rotational transitions with the Delta J = + 1 selection rule have been measured in the submillimeter-wave sp ectral region from J = 7 up to J = 22, Furthermore, 429 direct l-type resonance transitions with the Delta J = 0 selection rule have been me asured in the microwave region from J = 8 up to J = 35 by Fourier tran sform microwave spectroscopy, In addition A(1)-A(2) splittings of the kl = - 2 and + 4 states have been observed for J = 24-28 in the radiof requency range using the technique of two-dimensional radiofrequency-m icrowave double-resonance Fourier transform spectroscopy. These data a re analyzed simultaneously with the wavenumbers of 1086 rovibrational transitions up to J = 41 from the ground state to the upsilon(6) = vib rational stale measured in the infrared region near 500 cm(-1) with a high-resolution Fourier transform infrared spectrometer, The data are fitted by using two unitary equivalent sets of spectroscopic parameter s. Relations between fitted parameters in both sets are in excellent a greement with the theory of reduction of the effective rotational Hami ltonians. (C) 1997 Academic Press.