The Vibrational Spectrum of 2,3-Pyrazinedicarboxamide

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Abstract:

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 C 8 symmetry that was predicted by means of the theoretical calculations.

Keywords: Assignments; Infrared, Raman Spectroscopy; Isotopic effect; Pyrazinedicarboxamide; Structure

Document Type: Research Article

DOI: http://dx.doi.org/10.1366/0003702904085804

Affiliations: 1: Department of Physical Chemistry, University of Extremadura, Spain 2: Department of Physical Chemistry, University of Extremadura, Spain; Mailing address: Departmento de Química Fisica, Facultad de Ciencias, Av. Elvas s/n, 06071 Badajoz, España 3: Department of Physics, University of Extremadura, Spain 4: Department of Physical Chemistry, University of Malaga, Spain

Publication date: January 1, 1990

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