Rovibrational spectroscopy of the nu(2)=1, and nu(3)=1, and nu(2) = nu(3)=1 levels of CDF3

The high-resolution FTIR spectra of deuterofluoroform (CDF3) at essentially Doppler-limited resolution of 2.5 X 10(-3) cm(-1) were studied in the regi ons of the nu(2) (1111 cm(-1)) and nu(3) (694 cm(-1)) fundamental and the n u(2) + nu(3) (1802 cm(-1)) combination bands. The analysis of the two funda mental bands performed simultaneously with available submillimeter wave dat a leads to a significant improvement of spectroscopic constants with respec t to those from previous studies with lower resolution. The assignments in the nu(2) + nu(3) combination band were checked with the assistance of the (nu(2) + nu(3)) - nu(2) and (nu(2) + nu(3)) - nu(3) hot bands, which all we re assigned for the first time. The rovibrational analyses were done in the approximation of isolated vibrational levels, reproducing the experimental data within the experimental accuracy in case of the nu(2) = 1 and nu(3) = 1 levels, but leaving some local perturbations in the nu(2) = nu(3) = 1 le vel that cannot yet be quantitatively explained. (C) 2000 Elsevier Science B.V. All rights reserved.