Skip to main content
Log in

Molecular electrostatic potentials of hydrogen-bonded systems: The oligomers of formamide

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

Abstract

The modifications of the electrostatic molecular potential of formamide upon hydrogen bonding into various dimers and oligomers are presented and the predictive value of these potentials for assessing the strength of further hydrogen bonding is discussed. The potentials of long linear chains allow an understanding of the disposition of the molecules in the crystal.

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.

Similar content being viewed by others

References

  1. The role of the electrostatic potential in chemistry. Symposium of the American Chemical Society, Houston, Texas, April 1980

  2. Bonaccorsi, R., Scrocco, E., Tomasi, J.: J. Chem. Phys. 52, 5270 (1970)

    Google Scholar 

  3. Pullman, A., Berthod, H.: Theoret. Chim. Acta (Berl.) 48, 269 (1978)

    Google Scholar 

  4. Dreyfus, M., Maigret, B., Pullman, A.: Theoret. Chim. Acta (Berl.) 17, 109 (1970)

    Google Scholar 

  5. Dreyfus, M., Pullman, A.: Theoret. Chim. Acta (Berl.) 19, 20 (1970)

    Google Scholar 

  6. Hinton, J. F., Harpool, R. D.: J. Am. Chem. Soc. 99, 349 (1977)

    Google Scholar 

  7. Pullman, A., Berthod, H., Giessner-Prettre, C., Hinton, J. F., Harpool, D.: J. Am. Chem. Soc. 100, 3991 (1978)

    Google Scholar 

  8. Hehre, W. J., Stewart, R. F., Pople, J. A.: J. Chem. Phys. 51, 2657 (1969)

    Google Scholar 

  9. Berthod, H., Pullman, A.: Chem. Phys. Letters 14, 217 (1972)

    Google Scholar 

  10. Bonaccorsi, R., Pullman, A., Scrocco, E., Tomasi, J.: Chem. Phys. Letters 12, 622 (1972)

    Google Scholar 

  11. Pullman, A., Armbruster, A-M.: Chem. Phys. Letters 36, 558 (1975)

    Google Scholar 

  12. Pullman, A., Berthod, H., Gresh, N.: Chem. Phys. Letters 33, 11 (1975)

    Google Scholar 

  13. Orita, Y., Pullman, A.: Theoret. Chim. Acta (Berl.) 45, 257 (1977)

    Google Scholar 

  14. Kollman, P. A.: J. Am. Chem. Soc. 99, 4875 (1977)

    Google Scholar 

  15. Ladell, J., Post, B.: Acta Cryst. 7, 559 (1954)

    Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Rights and permissions

Reprints and permissions

About this article

Cite this article

Berthod, H., Pullman, A., Hinten, J.F. et al. Molecular electrostatic potentials of hydrogen-bonded systems: The oligomers of formamide. Theoret. Chim. Acta 57, 63–70 (1980). https://doi.org/10.1007/BF00547997

Download citation

  • Received:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF00547997

Key words

Navigation