Advertisement

Chemistry of Heterocyclic Compounds

, Volume 8, Issue 8, pp 943–948 | Cite as

Quantum-chemical investigation of some oligomeric heteroaromatic compounds

II. 1,3,4-Oxadiazoles
  • V. A. Kosobutskii
  • G. I. Kagan
  • V. K. Belyakov
  • O. G. Tarakanov
Article

Abstract

The electronic structures of a number of oligomeric 1,3,4-oxadiazoles and their phenyl derivatives were calculated by the Pariser-Parr-Pople method. The energy characteristics and molecular diagrams for the ground and excited states are discussed. It is shown that the effectiveness of conjugation between the rings in polyoxadiazole is close to that in polyphenylene.

Keywords

Organic Chemistry Phenyl Excited State Energy Characteristic Heteroaromatic Compound 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

Literature cited

  1. 1.
    G. I. Kagan, V. A.Kosobutskii, V. K. Belyakov, and O. G. Tarakanov, Khim. Geterotsikl. Soedin., 794 (1972).Google Scholar
  2. 2.
    V. V. Korshak, Heat-Resisting Polymers [in Russian], Nauka, Moscow (1969).Google Scholar
  3. 3.
    D. A. Bochvar, I. V. Stankevich, E. S. Krongauz, A. L. Rusanov, and V. V. Korshak, Vysokomol. Soedin., 9A, 1429 (1967).Google Scholar
  4. 4.
    A. E. Lutskii, A. V. Shepel', O. P. Shvaika, and G. P. Klimisha, Khim. Geterotsikl. Soedin., 461 (1969).Google Scholar
  5. 5.
    E. S. Krongauz, D. A. Bochvar, I.V. Stankevich, and V. V. Korshak, Dokl. Akad. Nauk SSSR, 179, 94 (1968).Google Scholar
  6. 6.
    R. Phan Tan Lun, L. Bouseasse, E. J. Vincent, and J. Metzger, Bull. Soc. Chim. France, 3283 (1967).Google Scholar
  7. 7.
    B. Back, J. T. Nielson, Z. Nygard, J. Rastrup-Anderson, and P. A. Steiner, J. Mol. Spectr., 19, 458 (1966).Google Scholar
  8. 8.
    J. Sauer, R. Huisgen, and H. J. Sturm, Tetrahedron, 241 (1960).Google Scholar
  9. 9.
    R. E. Ballard and A. Titchard, Spectrochim. Acta, 23A, 1883 (1967).Google Scholar
  10. 10.
    L. M. Kutsyna and É. T. Verkhovtseva, Opt. i Spektros., 12, 785 (1962).Google Scholar
  11. 11.
    D. J. Ott, V. N. Kerr, F. N. Hayes, and E. Hansburg, J. Org. Chem., 25, 872 (1960).Google Scholar
  12. 12.
    Yu. N. Popov, N. A. Adrova, and M. M. Koton, Opt. i Spektros., 7, 27 (1959).Google Scholar
  13. 13.
    R. Huisgen, J. Sauer, H. J. Sturm, and J. H. Markgraf, Ber., 2106 (1960).Google Scholar
  14. 14.
    V. V. Rodé, E. M. Bondarenko, V. V. Korshak, E. S. Krongauz, and A. L. Rusanov, Dokl. Akad. Nauk SSSR, 171, 355 (1966).Google Scholar
  15. 15.
    V. V. Rodé and E. M. Bondarenko, Vysokomol. Soedin., 9A, 2718 (1967).Google Scholar

Copyright information

© Consultants Bureau 1974

Authors and Affiliations

  • V. A. Kosobutskii
    • 1
  • G. I. Kagan
    • 1
  • V. K. Belyakov
    • 1
  • O. G. Tarakanov
    • 1
  1. 1.Vladimir Scientific-Research Institute of Synthetic ResinsUSSR

Personalised recommendations