High-Resolution Infrared Spectrum of CD3CN: Analysis of the Interacting ν3 and ν6 Bands and Evaluation of the A0 Constant

The reduced effective vibration–rotational Hamiltonian for the vt′=vt″<

“…The authors of this paper stressed the fact that in the l(2, À1) resonances, both the l-and the k-dependent parts proved to be significant. We should however notice that, with a q 6 l(2, 2) interaction parameter of 2.373 Â 10 À5 -cm À1 only [11], the constraintd t 0 ¼ 0 for t 0 = 6 cannot normally be applied. Moreover, when this constraint is applied in order to fix the s 0 parameter, this will result in an abnormally large value of theq 12 parameter.…”