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Optica Publishing Group
  • Applied Spectroscopy
  • Vol. 44,
  • Issue 1,
  • pp. 47-50
  • (1990)

The Vibrational Spectrum of 2,3-Pyrazinedicarboxamide

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Abstract

2,3-Pyrazinedicarboxamide and its <sup>2</sup>H and <sup>15</sup>N isotopic derivatives were synthesized with an isotopic content of 99.4%. The molecular geometry has been optimized by the MONSTERGAUSS <i>ab initio</i> method. Infrared and Raman spectra were recorded and assigned on the basis of isotopic shifts. The proposed assignments are fully in accordance with the <i>C</i><sub>8</sub> symmetry that was predicted by means of the theoretical calculations.

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