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Calculations of C5H5E cluster compounds by CNDO/2 method and rule of eight electrons

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Bulletin of the Academy of Sciences of the USSR, Division of chemical science Aims and scope

Conclusions

  1. 1.

    Based on the data of calculating the charged and neutral C5H5E clusters of the elements of the first and second periods by the CNDO/2 method the most stable of them are the compounds C5H5Be−, C5H5B, and C5H5C+, which obey the rule of eight electrons.

  2. 2.

    The calculated distances between the element and the cyclopentadienyl ring are found to be a linear function of the atomic radii of the elements (E=Li, Be, B, C, N).

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Authors and Affiliations

  1. A. N. Nesmeyanov Institute of Heteroorganic Compounds, Academy of Sciences of the USSR, Moscow

    N. I. Raevskii, Yu. S. Nekrasov, V. F. Sizoi & Yu. A. Borisov

Authors
  1. N. I. Raevskii
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  2. Yu. S. Nekrasov
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  3. V. F. Sizoi
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  4. Yu. A. Borisov
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Additional information

Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 12, pp. 2828–2831, December, 1981.

The authors thank I. V. Stankevich for a valuable discussion of the work.

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Raevskii, N.I., Nekrasov, Y.S., Sizoi, V.F. et al. Calculations of C5H5E cluster compounds by CNDO/2 method and rule of eight electrons. Russ Chem Bull 30, 2359–2362 (1981). https://doi.org/10.1007/BF00963713

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  • DOI: https://doi.org/10.1007/BF00963713

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