Chemistry of Heterocyclic Compounds

, Volume 8, Issue 8, pp 943–948 | Cite as

Quantum-chemical investigation of some oligomeric heteroaromatic compounds

II. 1,3,4-Oxadiazoles
  • V. A. Kosobutskii
  • G. I. Kagan
  • V. K. Belyakov
  • O. G. Tarakanov


The electronic structures of a number of oligomeric 1,3,4-oxadiazoles and their phenyl derivatives were calculated by the Pariser-Parr-Pople method. The energy characteristics and molecular diagrams for the ground and excited states are discussed. It is shown that the effectiveness of conjugation between the rings in polyoxadiazole is close to that in polyphenylene.


Organic Chemistry Phenyl Excited State Energy Characteristic Heteroaromatic Compound 
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Copyright information

© Consultants Bureau 1974

Authors and Affiliations

  • V. A. Kosobutskii
    • 1
  • G. I. Kagan
    • 1
  • V. K. Belyakov
    • 1
  • O. G. Tarakanov
    • 1
  1. 1.Vladimir Scientific-Research Institute of Synthetic ResinsUSSR

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