High resolution FTIR study of the nu(5) , nu(6) , and nu(9) fundamental bands of (CH2DCl)-Cl-37

The first high-resolution infrared spectra of CH2D37 Cl have been investigated in the region 650-1100 cm(-1) where the lowest fundamental bands nu(5) (826.2626 cm(-1)), nu(6) (708.4307 cm(-1)), and nu(9) (986.3405 cm(-1)) occur. These vibrations perturb each other by different weak interactions and the nu(5) = 1 and nu(6) = 1 states were treated according to a model which accounts for a c-type Coriolis resonance. The spectral analysis resulted in the identification of 1664, 2550 and 2657 ro-vibrational transitions for nu(5), nu(6), and nu(9) bands respectively, and to the determination of accurate spectroscopic parameters by using the Watson's A-reduction Hamiltonian in the I-r representation. The simulations of the ro-vibrational structure of the nu(5), nu(6), and nu(9) bands performed in different spectral regions adequately reproduce the experimental data. (C) 2021 Elsevier Ltd. All rights reserved.