Chemistry of Heterocyclic Compounds

, Volume 4, Issue 6, pp 737–741 | Cite as

Electronic structure of porphyrins with electronegative substituents

  • V. M. Mamaev
  • G. V. Ponomarev
  • R. P. Evstigneeva


Using the MO LCAO method in Hückel's approximation, the π-electronic charges and the bond orders of porphyrins containing ethoxycarbonyl and methyl substituents in the β-positions have been calculated. A correlation has been observed between the frequencies of stretching vibrations of the C=O groups in the IR spectra and the orders of their bonds. Changes in the chemical shifts of the protons of the methyl groups with the introduction of ethoxycarbonyl substituents agree with the changes in the π-electron charges.


Methyl Organic Chemistry Chemical Shift Porphyrin Bond Order 
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Copyright information

© Consultants Bureau 1971

Authors and Affiliations

  • V. M. Mamaev
    • 1
  • G. V. Ponomarev
    • 1
  • R. P. Evstigneeva
    • 1
  1. 1.Lomonosov Moscow Institute of Precision Chemical EngineeringUSSR

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