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Estimation of bond energies from mulliken overlap populations

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Czechoslovak Journal of Physics B Aims and scope

Abstract

Estimations of the bond energies from Mulliken overlap populations are taken. The strength of a bond is undoubtedly connected with the density of electrons constituting this bond. In the present paper the electron densitiesϱ bondi belonging to the particular bonds are represented by the total overlap populations defined byMulliken. The heat of atomization of the molecule is subdivide in the ratio of these electron densitiesϱ bondi belonging to the individual bond.

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References

  1. Mortimer C. T., Reaction Heats and Bond Strengths, Pergamon Press, Oxford 1962

    Google Scholar 

  2. Haslingerová I.,Černý S., Chem. listy (submitted for publication).

  3. Cox J. D., Pilcher G., Thermochemistry of Organic & Organometallic Compounds, The Academic Press, London 1970.

    Google Scholar 

  4. Sanderson R. T., Chemical Bonds and Bond Energy, Academic Press, New York 1971.

    Google Scholar 

  5. Brown R. D., J. Chem. Soc. (1953), 261.

  6. Dewar M. J. S.,Pettit R., J. Chem. Soc. (1954), 1625.

  7. Jorgensen W. L., Salem L., The Organic Chemist's Book of Orbitals, Academic Press, New York and London 1973.

    Google Scholar 

  8. Mulliken R. S., J. Chem. Phys.23 (1955), 10.

    Google Scholar 

  9. Čárský P., Pancíř J., Zahradník R., Molekulové orbitály v chemii (in Czech), Academia, Prague 1974.

    Google Scholar 

  10. Palke W. E., Lipscomb W. N., J. Amer. Chem. Soc.88 (1966), 2384.

    Google Scholar 

  11. Unland M. L., Van Wazer J. R., Litcher J. H., J. Amer. Chem. Soc.91 (1969), 1045.

    Google Scholar 

  12. Newton M. D., Lipscomb W. N., J. Amer. Chem. Soc.89 (1967), 4261.

    Google Scholar 

  13. Stevens R. M., Switkes E., Laws E. A., Lipscomb W. N., J. Amer. Chem. Soc.93 (1971), 2603.

    Google Scholar 

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Authors and Affiliations

  1. J. Heyrovský Institute of Physical Chemistry and Electrochemistry, Czechosl. Acad. Sci., Prague, Máchova 7, 121 38, Praha 2, Czechoslovakia

    I. Haslingerová

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  1. I. Haslingerová
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My thanks are due to Drs. S.Černý, Z.Knor, J.Pancíř and R.Zahradník for their interest and stimulating discussions.

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Haslingerová, I. Estimation of bond energies from mulliken overlap populations. Czech J Phys 27, 1389–1393 (1977). https://doi.org/10.1007/BF01588769

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  • DOI: https://doi.org/10.1007/BF01588769

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