Chemistry of Heterocyclic Compounds

, Volume 16, Issue 3, pp 293–295 | Cite as

Mo self-consistent-field (scf) calculations of quinoline and its derivatives. 3. Protonation energies and basic properties

  • Z. P. Bruvers
  • I. V. Zuika
Article
  • 19 Downloads

Abstract

The basic properties (pKNH+) of quinoline and its amino-, methoxy-, and S-methyl-substituted derivatives (substitution in the 2–8 positions of the quinoline ring) are compared with the bond energy [E(NhetH)], the charge on the nitrogen atom (qN), and the protonation energy (Ep) calculated within the CNDO/2 approximation with partial optimization of the geometry of the molecules.

Keywords

Nitrogen Organic Chemistry Nitrogen Atom Basic Property Methoxy 

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Copyright information

© Plenum Publishing Corporation 1980

Authors and Affiliations

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

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