The high-resolution infrared spectrum of ethane-1,1,1-D 3 rovibration studies of CH 3CD 3 and 13CH 3CD 3
The infrared spectra of a number of fundamentals of CH 3CD 3 and 13CH 3CD 3 were recorded at ∼0.05 cm -1 resolution using a Nicolet FTIR spectrometer. Complete analyses at this resolution were performed for the ν2 (CD 3 sym. stretch), ν7 (CH 3 asym. stretch), ν9 (CH 3 asym. deformation), ν11 (CD 3 asym. deformation), and ν12 (CD 3 rock) fundamentals, and sets of upper-state parameters are derived. Perturbations in the ν9 band are accounted for in terms of an A1- E Coriolis interaction with ν3 (CH 3 sym. deformation), and in the ν11 band in terms of the combined effects of an A1- E Coriolis interaction with ν4 (CD 3 sym. deformation) and an E(± l) - E(∓ l) interaction with ν10 (CH 3 rock). A small, localized perturbation in ν7 is identified as due to a higher-order rotational resonance with 2 ν92. All first- and second-order Coriolis interaction parameters are determined. Limited spectroscopic information is obtained on ν3, ν4, and ν10, all of which are extremely weak in the infrared. The perpendicular band analyses enable the centrifugal distortion DK0 constant to be estimated.