Skip to main content
SpringerLink
Log in

Use of MO LCAO method to investigate the nature of the absorption band and interaction mechanism in nitrobenzene-aniline and nitrobenzene-phenol complexes

  • Published:
Soviet Physics Journal Aims and scope

Abstract

The electronic structure, band characteristics, and interaction mechanism in aniline-nitrobenzene and nitrobenzene-phenol complexes are discussed. The discussion is based on the results from calculations by the Hückel and self-consistent field methods [7, 8].

Investigation of the electronic structure of the complexes, the nature of the absorption band, the oscillator forces, and the dipole moments has shown that the color in the nitrobenzene-aniline complex is due to the appearance of a charge-transfer band in the 4500 Å region. The absence of color in the nitrobenzene-phenol complex is due to a blue shift in the nitrobenzene band at λ = 3300 Å. A charge-transfer band in the 2740 Å region is predicted for the nitrobenzene-phenol complex.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. A. N. Terenin, Uspekhi khimii,24, 122, 1955.

    Google Scholar 

  2. V. P. Parini, Uspekhi khimii,31, 822, 1962.

    Google Scholar 

  3. S. P. Mak-Glin, Uspekhi khimii,29, 1149, 1960.

    Google Scholar 

  4. R. Mulliken, J. Am. Chem. Soc.,74, 881, 1952.

    Google Scholar 

  5. L. I. Andrews, Chem. Rev.,54, 713, 1954;76, 477, 1954.

    Google Scholar 

  6. V. D. Gol'tsev, Candidate's dissertation, Tomsk, 1957.

  7. G. A. Gavrilov, Candidate's dissertation, Tomsk, 1961.

  8. V. I. Danilova, Izvestiya VUZ. Fizika [Soviet Physics Journal], no. 3, 178, 1966.

    Google Scholar 

  9. V. I. Danilova and S. Ya. Belomyttsev, Izvestiya VUZ. Fizika [Soviet Physics Journal], no. 4, 145, 1967.

    Google Scholar 

  10. V. I. Danilova and S. Ya. Belomyttsev, Izvestiya VUZ. Fizika [Soviet Physics Journal], no. 6, 162, 1966.

    Google Scholar 

  11. V. I. Danilova and A. F. Terpugova, Izvestiya VUZ. Fizika, no. 3, 62, 1964.

    Google Scholar 

  12. B. Pullman and A. Pullman, Quantum Biochemistry [Russian translation], Izd-vo Mir, Moscow, 1965.

    Google Scholar 

  13. O. A. Ponomarev, Yu. P. Morozova, and V. I. Danilova, collection: Hydrogen Bond [in Russian], Izd-vo Nauka, 236, 1964.

  14. H. Preuss, Integraltafeln zur Quantum Chemie, Berlin, 1956.

  15. A. Hoffman and I. Ladik. Advances in Chemical Physics, 7, 84–158.

  16. L. G. Filippova, Candidate's dissertation, Tomsk, 1963.

  17. N. D. Sokolov, UFN,57, 205, 1967.

    Google Scholar 

  18. V. G. Plotnikov and D. N. Shigorin, Zh. fiz. khim., 39, 2608, 1965.

    Google Scholar 

  19. D. N. Shigorin, collection: Hydrogen Bond [in Russian], Izd-vo Nauka, Moscow, 1964.

    Google Scholar 

  20. L. G. Filippova and A. F. Terpugova, Litov. fiz. sbornik,3, 321, 1963.

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Kuznetsov Siberian Physicotechnical Institute, USSR

    V. I. Danilova & S. Ya. Belomyttsev

Authors
  1. V. I. Danilova
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. S. Ya. Belomyttsev
    View author publications

    You can also search for this author in PubMed Google Scholar

Rights and permissions

Reprints and permissions

About this article

Cite this article

Danilova, V.I., Belomyttsev, S.Y. Use of MO LCAO method to investigate the nature of the absorption band and interaction mechanism in nitrobenzene-aniline and nitrobenzene-phenol complexes. Soviet Physics Journal 11, 116–122 (1968). https://doi.org/10.1007/BF00817955

Download citation

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF00817955

Keywords

Search

Navigation