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The Vibrational Spectrum of 2,3-Pyrazinedicarboxamide

Volume 44, Number 1 (Jan. 1990) Page 47-50

Delgado, M. J. Martín; Márquez, F.; Suero, M.I.; Marcos, J.I.


2,3-Pyrazinedicarboxamide and its 2H and 15N isotopic derivatives were synthesized with an isotopic content of 99.4%. The molecular geometry has been optimized by the MONSTERGAUSS ab initio method. Infrared and Raman spectra were recorded and assigned on the basis of isotopic shifts. The proposed assignments are fully in accordance with the C8 symmetry that was predicted by means of the theoretical calculations.