Skip to main content
Log in

Electric polarizabilities, magnetic susceptibilities and dispersion coefficients for hydrocarbons

II. Bond values

  • Original Investigations
  • Published:
Theoretica chimica acta Aims and scope Submit manuscript

Abstract

Using wavefunctions given in the companion paper bond properties and interactions are computed. Results are in agreement with other theoretical estimates and provide good molecular results. Differences between similar bonds can be accounted for by change in bond length. Simple formulae can be used to normalize bond contributions according to bond length. Parameters should be applicable to macromolecules.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. Christoffersen, R. E.: J. Am. Chem. Soc.93, 4104 (1971)

    Google Scholar 

  2. Denbigh, K. G.: Trans. Faraday Soc.36, 936 (1940)

    Google Scholar 

  3. Frost, A. A.: J. Chem. Phys.47, 3707 (1967)

    Google Scholar 

  4. Zwanzig, R. W.: J. Chem. Phys.39, 2251 (1963)

    Google Scholar 

  5. Margenau, H., Kestner, N. R.: Theory of intermolecular forces. New York: Pergamon Press 1969

    Google Scholar 

  6. Amos, A. T., Crispin, R. J.: Theoret. Chem. Advan. Perspectives2, 1 (1976)

    Google Scholar 

  7. Stoicheff, B. P.: Tetrahedron17, 135 (1962)

    Google Scholar 

  8. Kuchitsu, K.: MTP Intern. Rev. Sci. Phys. Chem. Series One2, 203 (1972)

    Google Scholar 

  9. Amos, A. T., Yoffe, J. A.: J. Chem. Phys.63, 4723 (1975)

    Google Scholar 

  10. Yoffe, J. A.: Theoret. Chim. Acta (Berl.) (MS 1165)

  11. Amos, A. T., Crispin, R. J.: J. Chem. Phys.63, 1890 (1975)

    Google Scholar 

  12. Bolton, H. C.: Trans. Faraday Soc.50, 1261 (1954)

    Google Scholar 

  13. Syrkin, Y. K., Dyatkina, M. E.: Structure of molecules and the chemical bond. New York: Dover Press 1964

    Google Scholar 

  14. Vickery, B. C., Denbigh, K. G.: Trans. Faraday Soc.45, 61 (1949)

    Google Scholar 

  15. Pople, J. A.: J. Chem. Phys.37, 62 (1963)

    Google Scholar 

  16. Davies, D. W.: The theory of the electric and magnetic properties of molecules. New York: Wiley 1967

    Google Scholar 

  17. Ditchfield, R.: MTP Intern. Rev. Sci. Phys. Chem. Series One2, 91 (1972)

    Google Scholar 

  18. Hameka, H. F.: J. Chem. Phys.37, 3008 (1962);34, 1996 (1961)

    Google Scholar 

  19. Bitter, F.: Phys. Rev.33, 389 (1929)

    Google Scholar 

  20. Baudet, J.: J. Chim. Phys., Phys. Chim. Biol.58, 228 (1961)

    Google Scholar 

  21. Frost, A. A., Rouse, R. A.: J. Am. Chem. Soc.90, 1965 (1968)

    Google Scholar 

  22. Blustin, P. H., Linnett, J. W.: Trans. Faraday Soc. II70, 274 (1974)

    Google Scholar 

  23. Smith, J. W.: Electric dipole moments. London: Butterworth 1955

    Google Scholar 

  24. Watson, H. E., Ramaswamy, K. L.: Proc. Roy. Soc. A156, 144 (1936)

    Google Scholar 

  25. Salem, L.: J. Chem. Phys.37, 2100 (1962)

    Google Scholar 

  26. Amos, A. T., Crispin, R. J.: Mol. Phys.31, 159 (1976)

    Google Scholar 

  27. Amos, A. T., Crispin, R. J.: Chem. Phys. Letters22, 580 (1973)

    Google Scholar 

  28. Abe, A., Jernigan, R. L., Flory, P. J.: J. Am. Chem. Soc.88, 631 (1966)

    Google Scholar 

  29. Boyd, D. R. J., Thompson, H. W.: Trans. Faraday Soc.49, 1281 (1953)

    Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Rights and permissions

Reprints and permissions

About this article

Cite this article

Yoffe, J.A. Electric polarizabilities, magnetic susceptibilities and dispersion coefficients for hydrocarbons. Theoret. Chim. Acta 51, 121–135 (1979). https://doi.org/10.1007/BF00554096

Download citation

  • Received:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF00554096

Key words

Navigation