Abstract
Dideuteroacetylene, C2D2, is a remarkable species for which the stretch-bend separability of the vibrational states is such that all the experimentally known stretching levels can be reproduced with an rms of 1.1 cm−1 by using a simple stretching coordinate Hamiltonian model. The only two levels which deviate significantly from the calculations point out the effect of the 1/244 stretch-bend resonance previously identified. The local mode parameters retrieved from the fit of the experimental levels allow for a very satisfactory prediction of the available energy levels of the 12C13CD2 species. A comparison between the local mode and normal mode approaches is presented.
Published Version
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