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 Cs symmetry that was predicted by means of the theoretical calculations.
Get full access to this article
View all access options for this article.
References
1.
Kushner
S.
Delalian
H.
Sanjurgo
J. L.
Boch
F. J.
Safir
S. R.
Smith
V. K.
Williand
J. H.
, J. Amer. Chem. Soc. 74 , 3617 (1952 ).
2.
Singh
P. P.
Seth
J. N.
, J. Inor. Nucl. Chem. 37 , 593 (1975 ).
3.
Sanyal
G. S.
Mondal
S. K.
, Bull. Chem. Soc. Jpn. 52 (3 ), 961 (1979 ).
4.
Sanyal
G. S.
Modak
A. B.
Mudi
A. K.
, Indian J. Chem. 21A , 1044 (1982 ).
5.
Arenas
J. F.
Lopez Navarrete
J. T.
Otero
J. C.
Marcos
J. I.
Cardenete
A.
, J. Chem. Soc. Faraday Trans. 2 81 , 405 (1985 ).
6.
Arenas
J. F.
Marcos
J. I.
Lopez Navarrete
J. T.
Otero
J. C.
, Coll. Czech. Chem. Comm. 51 , 2656 (1986 ); Idem. , Spectrochim. Acta 42A , 1343 (1986 ); Idem. , J. Mol. Struct. 142 , 295 (1986 ).
7.
Otero
J. C.
, Ph.D. Thesis , University of Malaga (1986 ).
8.
Márquez
F.
Marcos
J. I.
Arenas
J. F.
Suero
M. I.
, An. Quim. 83 , 290 (1987 ).
9.
Roothaan
C. C. J.
, Rev. Mod. Phys. 23 , 69 (1951 ).
10.
Hall
S. A.
Spoerri
P. E.
, J. Am. Chem. Soc. 62 , 664 (1940 ).
11.
Cole
A. R. H.
, Tables of Wavenumbers for the Calibrations of Infrared Spectrometer (Pergamon Press , New York , 1977 ).
12.
Hehre
W. J.
Stewart
R. F.
Pople
J. A.
, J. Chem. Phys. 51 , 2657 (1969 ).
13.
Wilson
E. B.
, Phys. Rev. 45 , 706 (1934 ).
14.
Varsanyi
G.
, Vibrational Spectra of Benzene Derivatives (Academic Press , Budapest , 1969 ).
15.
Parellada
R.
Arenas
J. F.
, An. Quím. 64 , 365 (1970 ).
16.
Yoshida
S.
, Chem. Pharm. Bull. Tokyo 11 (5 ), 628 (1963 ).
17.
Miyazawa
T.
Shimanouchi
T.
Mizushima
S.
, J. Chem. Phys. 29 , 611 (1958 ).
18.
Arenas
J. F.
Parellada
R.
, An. Quím. B66 , 283 (1970 ).
19.
Miyazawa
T.
, J. Chem. Soc. Japan 76 , 821 (1955 ).