Skip to main content
SpringerLink
Log in

Electronic structure and absorption spectra of acetylacetone and its analogs

  • Published:
Theoretical and Experimental Chemistry Aims and scope

Abstract

The molecules of acetylacetone, benzoylacetone, dibenzoylmethane, and thiodibenzoylmethane have been calculated by the simple MO LCAO method and their absorption spectra recorded. The chelation of acetylacetone with a hydrogen atom does not affect the energy of the first allowed transition 1A1-1B1. Calculations correctly predict the change in the energy for this transition in the Β-diketone series: acetylacetone > benzoylacetone > dibenzoylmethane > thiodibenzoylmethane; the intensity reaches a maximum value for dibenzoylmethane and dropping sharply for thiodibenzoylmethane. The secondary absorption bands for benzoylacetone and dibenzoylmethane are examined experimentally and interpreted theoretically.

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. R. A. Morton, A. Hassan, and T. S. Callaway, J. Chem. Soc., 883, 1934.

  2. B. Eistert, E. Markel, and W. Retss, Berichte, 87, 1526, 1954.

    Google Scholar 

  3. R. L. Belford, A. E. Martell, and M. Calvin, J. Inorg. Nucl. Chem., 2, 11, 1956.

    Google Scholar 

  4. S. Basu and K. K. Chatterji, Z. Phys. Chem., 209, 360, 1958.

    Google Scholar 

  5. D. W. Barnum, J. Inorg. Nucl. Chem., 21, 221, 1961.

    Google Scholar 

  6. L. Lang, “Absorption spectra in the ultraviolet and visible region,” Hung. Acad. Scien. Budapest, vol. 2, 1961; vol. 4, 1963.

  7. S. H. H. Chaston and S. E. Livingstone, Austr. J. Chem., 20, 1079, 1967.

    Google Scholar 

  8. E. A. Shugam, S. D. Nasirdinov, V. V. Zelentsov, and E. N. Pinskaya “Chemical reagents and compounds,” Trudy IREAL, no. 30, 378, 1967.

    Google Scholar 

  9. J. Lewis, ed., Modern Coordination Chemistry [Russian translation], IL, 1963.

  10. H. S. Jarrelt, M. S. Sadler, and J. N. Shoolery, J. Chem. Phys., 21, 2092, 1953.

    Google Scholar 

  11. C. J. Ballhausen and H. B. Gray, Molecular Orbital Theory, N. Y., 1964.

  12. E. Clementi and D. L. Raimondi, J. Chem. Phys., 38, 2686, 1963.

    Google Scholar 

  13. E. A. Shugam and L. M. Shkol'nikova, Crystal Chemistry [in Russian], Itogi nauki, ser. Khimiya, Moscow, 1967.

    Google Scholar 

  14. E. A. Shugam, DAN SSSR, 81, 853, 1951.

    Google Scholar 

  15. M. Wolfsberg and L. Helmholz, J. Chem. Phys., 20, 837, 1952.

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Institute of Catalysis, Siberian Division, AS USSR, Novosibirsk

    V. I. Avdeev, E. A. Shugam & S. D. Nasirdinov

  2. Institute of Chemical Reagents and Particularly Pure Substances, Moscow

    V. I. Avdeev, E. A. Shugam & S. D. Nasirdinov

Authors
  1. V. I. Avdeev
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. E. A. Shugam
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. S. D. Nasirdinov
    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

Avdeev, V.I., Shugam, E.A. & Nasirdinov, S.D. Electronic structure and absorption spectra of acetylacetone and its analogs. Theor Exp Chem 5, 396–402 (1972). https://doi.org/10.1007/BF00524567

Download citation

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF00524567

Keywords

Search

Navigation