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Chemistry of Heterocyclic Compounds

, Volume 14, Issue 11, pp 1245–1248 | Cite as

Molecular-orbital self-consistent field calculations of quinoline and its derivatives

II. Calculation of the electronic structure and spectra of 8-mercaptoquinoline
  • Z. P. Bruvers
  • L. V. Zuika
Article
  • 33 Downloads

Abstract

The electronic spectra of the thiol, anionic, protonated, and mesoionic forms of 8-mercaptoquinoline and the mesoionic form of 5-mercaptoquinoline and the 5-mercapto-N-methylquinolinium ion were calculated within the CNDO (complete neglect of differential overlap) approximation. The inclusion of the d orbitals of the sulfur atom in the AO basis has virtually no effect on the energies of the electron transitions of these compounds.

Keywords

Sulfur Organic Chemistry Thiol Quinoline Electron Transition 
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.

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Literature cited

  1. 1.
    Yu. A. Bankovskii, Izv. Akad. Nauk Latv. SSR, Ser. Khim., No. 6, 643 (1970).Google Scholar
  2. 2.
    J. Del Bene and H. H. Jaffe, J. Chem. Phys., 48, 1806 (1968).Google Scholar
  3. 3.
    K. A. Levison and P. G. Perkins, Theor. Chim. Acta, 14, 206 (1969).Google Scholar
  4. 4.
    I. V. Zuika, Z. P. Bruvers, and A. Ya. Yurgis, Khim. Geterotsikl. Soedin., No. 11, 1524 (1976).Google Scholar
  5. 5.
    Yu. A. Bankovskii, L. M. Chera, and A. F. Levin'sh, Zh. Anal. Khim., 18, 668 (1963).Google Scholar
  6. 6.
    A. D. Ozola, Ya. K. Ozols, and A. F. Levin'sh, Izv. Akad. Nauk Latv. SSR, Ser. Khim., No. 6, 662 (1973).Google Scholar
  7. 7.
    C. K. Prout and A. G. Wheeler, J. Chem. Soc., A, No. 9, 1286 (1966).Google Scholar
  8. 8.
    V. I. Nefedov, Ya. V. Salyn', I. A. Zakharova, and Yu. A. Bankovskii, Koordinats. Khim., 1, 1545 (1975).Google Scholar
  9. 9.
    A. Albert and G. B. Barlin, J. Chem. Soc., Nos. 7–8, 2384 (1959).Google Scholar

Copyright information

© Plenum Publishing Corporation 1979

Authors and Affiliations

  • Z. P. Bruvers
    • 1
  • L. V. Zuika
    • 1
  1. 1.Institute of Inorganic ChemistryAcademy of Sciences of the Latvian SSRRiga

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