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


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.


Sulfur Organic Chemistry Thiol Quinoline Electron Transition 
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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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