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Chemical bonds and intramolecular barriers

  • Physicochemical Processes at the Interfaces
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Abstract

The physical aspects of the nature of a covalent chemical bond are considered. The role of the intramolecular potential barrier in the formation of the electron-density distribution in its ground state is analyzed using the example of a hydrogen molecule. Determination of the ground-state parameters of the hydrogen molecule is carried out based on the basis of exact solutions of the one-electron Schröbinger equation for a hydrogen molecular ion. The obtained expression for the energy of a hydrogen molecule depends only on the parameters determined by physical factors and does not contain any artifacts like the wave-functions overlap integral.

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Authors and Affiliations

  1. Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, 31 Leninskii prosp., Moscow, 119071, Russia

    R. N. Kuklin

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  1. R. N. Kuklin
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Correspondence to R. N. Kuklin.

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Original Russian Text © R.N. Kuklin, 2014, published in Fizikokhimiya Poverkhnosti i Zashchita Materialov, 2014, Vol. 50, No. 4, pp. 354–361.

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Kuklin, R.N. Chemical bonds and intramolecular barriers. Prot Met Phys Chem Surf 50, 447–453 (2014). https://doi.org/10.1134/S2070205114040091

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  • DOI: https://doi.org/10.1134/S2070205114040091

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