Chemistry of Heterocyclic Compounds

, Volume 27, Issue 6, pp 583–590 | Cite as

Quantum-chemical investigation of the protonated forms of 2-(2-furyl)pyrrole

  • A. B. Trofimov
  • B. A. Trofimov
  • N. M. Vitkovskaya
  • M. V. Sigalov


The electron and conformational structures, as well as the internal rotation, of 2-(2-furyl)pyrrole and its α-protonated forms were studied by the MNDO method with complete optimization of the geometry. In conformity with the experiments (PMR), the two delocalized cations with a cis orientation of the heteroatoms that are formed as a result of protonation of the pyrrole or furan ring have the greatest and virtually equal stabilities (δH=738.7 and 740.6 kJ/mole).


Organic Chemistry Pyrrole Furan Internal Rotation Protonated Form 
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Copyright information

© Plenum Publishing Corporation 1991

Authors and Affiliations

  • A. B. Trofimov
    • 1
  • B. A. Trofimov
    • 1
  • N. M. Vitkovskaya
    • 1
  • M. V. Sigalov
    • 1
  1. 1.Irkutsk Institute of Organic Chemistry, Siberian BranchAcademy of Sciences of the USSRIrkutsk

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