Vibrational spectrum and internal rotation in 2,6-dimethylpyrazine

Abstract

The infrared and Raman spectra of 2,6-dimethylpyrazine have been recorded and assigned on the basis of a C 2v molecular geometry previously determined by MINDO/3. The potential energy function corresponding to the internal rotation of both methyl groups has been used to solve the Schrödinger equation, and to obtain the energy levels of that motion on the basis of a molecular symmetry G 36. The rotation of each methyl group is found to be independent of the other.