Chemistry of Heterocyclic Compounds

, Volume 7, Issue 7, pp 875–881 | Cite as

PMR spectra and electronic structures of the neutral bases and cations of thiazolo [3,2-a] -benzimidazole and its methyl derivatives

  • G. G. Dvoryantseva
  • L. M. Alekseeva
  • T. N. Ul'yanova
  • Yu. N. Sheinker
  • P. M. Kochergin
  • A. N. Krasovskii


The PMR spectra of the neutral bases and cations of methyl derivatives of thiazolo[3,2-a]-benzimidazole were studied. The dependence of the chemical shifts on the acid concentration was examined. The investigated system is protonated and N-methylated at the N9 atom. The structure of the conjugated cation corresponds to considerable delocalization of the effective positive charge to the heteroatoms of the thiazole ring. A satisfactory linear correlation between the corrected chemical shifts and the π-electron densities, calculated by the simple MO LCAO method using a coulombic integral for the sulfur atom, hS=0.9, and the parameters of the Pullman system for the remaining heteroatoms, was observed.


Chemical Shift Acid Concentration Linear Correlation Positive Charge Benzimidazole 
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Copyright information

© Consultants Bureau, a division of Plenum Publishing Corporation 1974

Authors and Affiliations

  • G. G. Dvoryantseva
    • 1
  • L. M. Alekseeva
    • 1
  • T. N. Ul'yanova
    • 1
  • Yu. N. Sheinker
    • 1
  • P. M. Kochergin
    • 1
  • A. N. Krasovskii
    • 1
  1. 1.Chemistry InstituteMoscow

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