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Heteroorganic derivatives of furan. 69. Analysis of electron structures of 2-furyltriethoxysilane and 1′-(2-furyl)-silatrane by the MO LCAO CNDO/2 method

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Abstract

The electron structures (charges on the atoms, additive populations of the atomic orbitals, and multiplicities of the chemical bonds) of 2-furyltriethoxysilane, 1′-(2-furyl)silatrane, and the starting triethanolamine were analyzed by the MO LCAO CNDO/2 method taking into account the d orbitals. The localized molecular orbitals and the hybrid atomic orbitals that form them were constructed by the Polak projection method.

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Literature Cited

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Authors and Affiliations

  1. K. A. Fedin Saratov State Pedagogical Institute, 410028, Saratov

    A. K. Kozyrev, R. G. Kutlubaev, N. P. Erchak & E. Lukevits

  2. Institute of Organic Synthesis, Academy of Sciences of the Latvian SSR, 226006, Riga

    A. K. Kozyrev, R. G. Kutlubaev, N. P. Erchak & E. Lukevits

Authors
  1. A. K. Kozyrev
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  2. R. G. Kutlubaev
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  3. N. P. Erchak
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  4. E. Lukevits
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Additional information

see [1–3] for Communications 66–68.

Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 10, pp. 1314–1321, October, 1989.

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Kozyrev, A.K., Kutlubaev, R.G., Erchak, N.P. et al. Heteroorganic derivatives of furan. 69. Analysis of electron structures of 2-furyltriethoxysilane and 1′-(2-furyl)-silatrane by the MO LCAO CNDO/2 method. Chem Heterocycl Compd 25, 1096–1103 (1989). https://doi.org/10.1007/BF00470684

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  • DOI: https://doi.org/10.1007/BF00470684

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