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Semiempirical models of the transannular bond in silatranes and phosphatranes

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

Conclusions

  1. 1.

    The MO LCAO method in the MNDO approximation has been used to investigate energetic, structural and electronic effects in the formation of the donor-acceptor P ← N bond in the complexes XPF3· NH3, modeling the phosphatranes.

  2. 2.

    The effect of substituents on the phosphorus atom on the formation of the P ← N bond is attributed mainly to changes in the acceptor properties of the lowest unoccupied MO localized on the P atom.

  3. 3.

    Depending on the structure of the molecule, the replacement of an F atom by a Cl atom in complexes of the type XSiR3 1· NR3 2 can either weaken or strengthen the donor-acceptor Si ← N bond.

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Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 9, pp. 2061–2066, September, 1988.

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Korkin, A.A., Aksinenko, N.A. & Tsvetkov, E.N. Semiempirical models of the transannular bond in silatranes and phosphatranes. Russ Chem Bull 37, 1846–1851 (1988). https://doi.org/10.1007/BF00962501

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  • DOI: https://doi.org/10.1007/BF00962501

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