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Quantum-chemical investigation of some oligomeric heteroaromatic compounds

II. 1,3,4-Oxadiazoles

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Chemistry of Heterocyclic Compounds Aims and scope

Abstract

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.

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Authors and Affiliations

  1. Vladimir Scientific-Research Institute of Synthetic Resins, USSR

    V. A. Kosobutskii, G. I. Kagan, V. K. Belyakov & O. G. Tarakanov

Authors
  1. V. A. Kosobutskii
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  2. G. I. Kagan
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  3. V. K. Belyakov
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  4. O. G. Tarakanov
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Additional information

See [1] for communication I.

Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 8, pp. 1041–1047, August, 1972.

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Kosobutskii, V.A., Kagan, G.I., Belyakov, V.K. et al. Quantum-chemical investigation of some oligomeric heteroaromatic compounds. Chem Heterocycl Compd 8, 943–948 (1972). https://doi.org/10.1007/BF00476319

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  • DOI: https://doi.org/10.1007/BF00476319

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