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Empirical model of orbital relaxation and interatomic distances in molecules with polar chemical bonds

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Abstract

Orbital relaxation is treated as one of the reasons for shortening of chemical bonds with respect to the sum of the covalent radii of interacting atoms. The C-O, Si-O, Si-C, Si-H, Si-F, and Si-Cl bond lengths in organic and inorganic silicon compounds and of E-H and E-F bonds in diatomic hydrides and absolute-valent fluorides (E is a second-period element) are considered in terms of a simple empirical model of orbital relaxation. In all cases under study, orbital relaxation is an important factor affecting the length of the chemical bond.

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Authors and Affiliations

  1. Novomoskovsk Institute, D. I. Mendeleev Russian Chemical Technological University, Russia

    A. I. Ermakov, V. S Ponomarev, N. A. Makrushin & V. A. Kochetov

Authors
  1. A. I. Ermakov
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  2. V. S Ponomarev
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  3. N. A. Makrushin
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  4. V. A. Kochetov
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Additional information

Translated fromZhumal Struktumoi Khimii, Vol. 38, No. 3, pp. 438–446, May–June, 1997.

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Ermakov, A.I., Ponomarev, V.S., Makrushin, N.A. et al. Empirical model of orbital relaxation and interatomic distances in molecules with polar chemical bonds. J Struct Chem 38, 358–365 (1997). https://doi.org/10.1007/BF02763599

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  • DOI: https://doi.org/10.1007/BF02763599

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