The normal coordinate analysis of cyclic succinhydrazide (tetrahydro-3,6-pyridazinedione)

Article abstract of DOI:10.1016/0584-8539(85)80178-1

The i.r. spectra of cyclic succinhydrazide and cyclic succinhydrazide-d2 in the solid state have been measured in the region between 4000 and 250 cm^-1.The normal coordinate analysis has been performed as a 14-body problem with C₂ molecular symmetry.A simple Urey-Bradley force field has been used and the force constants have been refined by the least squares method.The vibrational assignments have been made on the basis of the calculated frequencies and the potential energy distributions.The calculated frequencies in both isotopic species were in good agreement with the observed frequencies.The skeletal streching force constants have been compared with those of glycine anhydride.Consequently, it has been found that in the cyclic succinhydrazide molecule the double bond is delocalized throughout the bonds O=C-N-N-C=O.