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Conclusions

  1. 1.

    The (4n+2) Hückel rule does not hold for regular coronenes-m,l.

  2. 2.

    The (4n+2) Hückel rule is fulfilled for unbranched cis-condensed cyclopentadienyl systems.

  3. 3.

    The Hückel rule is not fulfilled for the transcondensed cyclopentadienyl systems: vacant bonding levels exist for all such systems.

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Literature cited

  1. E. Hückel, Z. Physik,70, 204 (1931).

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  2. D. A. Bochvar and I. V. Stankevich, Zh. Struktur. Khim.,11, 1108 (1970).

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  3. D. A. Bochvar, I. V. Stankevich, and A. V. Tutkevich, Izv. Akad. Nauk SSSR, Ser. Khim., 1185 (1969).

  4. D. A. Bochvar, E. G. Gal'pern, and N. P. Gambaryan, Izv. Akad. Nauk SSSR, Ser. Khim., 435 (1970).

  5. A, Streitwieser, Jr. and J. I. Brauman, Supplemental Tables of Molecular Orbital Calculations, Pergamon Press (1965).

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Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 6, pp. 1327–1331, June, 1972.

The authors express their gratitude to N. P. Gambaryan and I. V. Stankevich for discussing the obtained results.

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Bochvar, D.A., Gal'pern, E.G. (4n+2) Hückel rule and some polycondensed systems. Russ Chem Bull 21, 1279–1281 (1972). https://doi.org/10.1007/BF00854544

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  • DOI: https://doi.org/10.1007/BF00854544

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