Journal of Molecular Structure p. 237 - 245 (2000)
Update date:2022-08-15
Topics:
Stamboliyska
Binev
Radomirska
Tsenov
Juchnovski
The structures of 2,5-pyrrolidinedione (succinimide), its 15N labelled derivative, and of their nitranions have been studied on the basis of both quantitative IR spectra and ab initio RHF and MP2 calculations. The theory describes well the strong frequency decrease (down to 138 cm-1) and the twofold increase in both the intensity and splitting of the carbonyl stretching bands, caused by the conversion of the succinimide molecule into the nitranion. According to the calculations, this conversion leads to essential changes in all the bond lengths and angles in the ring, but it remains planar. The anionic charge is localized mainly within the carbonyl groups. The alkali-metal derivatives of succinimide exist in DMSO as free solvated ions mainly.
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