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Nonempirical study of the structure of complexes of acetylene with H+, Li+, and Na+ cations

  • Physical Chemistry
  • Published:
Bulletin of the Academy of Sciences of the USSR, Division of chemical science Aims and scope

Conclusions

  1. 1.

    In the series of H+, Li+, and Na+ cations, the complexing energies with acetylene decrease from hydrogen to sodium, while the relative stability of the bridge structure of the complexes increases in the same order in comparison to the classic (open) structure.

  2. 2.

    The energy of the lower vacant molecular orbitals of acetylene and its complexes with H+, Li+, and Na+ decrease in the order C2H2>C2H2Na+>C2H2Li+>C2H3 +.

  3. 3.

    The value of the electron density transfer from acetylene to the cation decreases in the order H+ > Li+ > Na+.

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Authors and Affiliations

  1. Irkutsk Institute of Organic Chemistry, Siberian Branch, Academy of Sciences of the USSR, USSR

    T. É. Moskovskaya, N. M. Vitkovskaya & B. A. Trofimov

Authors
  1. T. É. Moskovskaya
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  2. N. M. Vitkovskaya
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  3. B. A. Trofimov
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Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 4, pp. 891–895, April, 1982.

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Moskovskaya, T.É., Vitkovskaya, N.M. & Trofimov, B.A. Nonempirical study of the structure of complexes of acetylene with H+, Li+, and Na+ cations. Russ Chem Bull 31, 785–788 (1982). https://doi.org/10.1007/BF00950019

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  • DOI: https://doi.org/10.1007/BF00950019

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