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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

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 
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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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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