Abstract
Approximate correlations of the interatomic distances, dipole moments, IR spectral frequencies, and polarographic reduction potentials of sydnones and sydnonimines with the quantum-chemical characteristics of these molecules, calculated by the Hückel method with four variants of parameters obtained from the Pariser-Parr-Pople method, were found.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
Literature cited
D. A. Bochvar, A. A. Bagatur'yants, and E.V. Borisov, Zh, Fiz. Khlm., (1971, in press).
J. Jensovsky, Z.Chem., 5, 252 (1965).
W. E. Thiessen and H. Hope, J. Am. Chem. Soc., 89, 5977 (1967).
L. E. Orgel, T. R. Cottrel, W. Dick, and L. E. Sutton, Trans. Faraday Soc., 47, 113 (1957).
D. A. Bochvar and A. A. Bagatur'yants, Zh. Fiz. Khim., 39, 1631 (1965).
L. B. Kier and E. B. Roche, J. Pharm. Sci., 56, 149 (1967).
E. B. Roche, Tet. Letters, 1233 (1967).
J. E. Bloore, B. R. Eilson, and F. P. Billingsley, Theoret. Chim. Acta, 12, 360 (1968).
W. Adam and A. Grimison, Theoret. Chim. Acta, 7, 342 (1967).
A. Streitwieser, Molecular Orbital Theory for Organic Chemists, Wiley (1961).
E. V. Borisov, L. E. Kholodov, and V. G. Yashunskii, Zh. Organ. Khim., 4, 2034 (1968).
E. V. Borisov, L. E. Kholodov, O. A. Subbotina, A. A. Bagatur'yants, and V. G. Yashunskii, Khim. Geterosikl. Soedin., 1456 (1970).
D. Volke, in; Physical Methods in Heterocyclic Chemistry, A. R. Katritzky (editor), Academic Press (1963).
L. E. Kholodov and V. G. Yashunskii, Zh. Fiz. Khim., 42, 206 (1968).
B. E. Zaitsev and Yu. N. Sheinker, Izv. Akad. Nauk SSSR, Otd. Khim. Nauk, 407 (1962).
J. E. Earl, R. J. W. LeFevre, A. E. Pulford, and A. I. Walsh, J. Chem. Soc., 2207 (1951).
C. J. Thoman, D. J. Voaden, and A. Hunsberger, J. Org. Chem., 29, 2044 (1964).
D. L. Hammick and D. J. Voaden, J. Chem. Soc., 3303 (1961).
V. G. Yashunskii, Doctoral Dissertation, “Investigation of sydnones and sydnonimines” [in Russian], Moscow (1964).
S. A. Zotova and V. G. Yashunskii, Zh. Organ. Khim., 2, 1877 (1966).
V. G. Yashunskii and Yu. N. Sheinker, Zh. Obshch. Khim., 32, 1681 (1962).
V. G. Yashunskii, O. I. Samoilova, and L. E. Kholodov, Zh. Obshch. Khim., 34, 2010 (1964).
Yu. G. Borod'ko and Ya. K. Syrkin, Dokl. Akad. Nauk SSSR, 134, No. 5, 1127 (1960).
B. E. Zaitsev, Yu. N. Sheinker, and Yu. D. Koreshkov, Dokl. Akad. Nauk SSSR, 136, 1090 (1961).
Additional information
Translated from Khimiya Geterotsiklicheskikh Soedtaenii, No. 10, pp. 1407–1412, October, 1971.
Rights and permissions
About this article
Cite this article
Borisov, E.V., Kholodov, L.E., Bagatur'yants, A.A. et al. Comparison of the calculated quantum-chemical characteristics of sydnones and sydnonimines with the experimentally observed molecular parameters. Chem Heterocycl Compd 7, 1314–1318 (1971). https://doi.org/10.1007/BF00479960
Received:
Issue Date:
DOI: https://doi.org/10.1007/BF00479960