Theoretica chimica acta

, Volume 44, Issue 2, pp 215–218 | Cite as

Perpendicular component of dipole moment in methyl groups

  • John F. Ogilvie
Short Communication


Consideration of the non equivalence of hydrogen atoms in a methyl group attached to a planar moiety indicates that a component of electric dipole moment should exist in a direction perpendicular to the local C3 axis of the CH3 group. Semiempirical molecular-orbital computations produced estimates of this moment and of the barriers to internal rotation which may make this moment observable.

Key words

Methyl groups, dipole moment in ∼ 


Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.


  1. 1.
    Ozier, T., Lees, R. M., Gerry, M. C. L.: Can. J. Phys. 54, 1094 (1976)Google Scholar
  2. 2.
    Chung-Phillips, A.: Quantum Chemistry Program Exchange, No, 274, Indiana University USAGoogle Scholar
  3. 3.
    Pople, J. A., Beveridge, D. L.: Approximate molecular orbital theory, pp. 87–119. New York: McGraw-Hill 1970Google Scholar
  4. 4.
    Murrell, J. N., Harget, A. J.: Semi-empirical self-consistent-field molecular-orbital theory of molecules, pp. 43–60. London: Wiley 1972Google Scholar
  5. 5.
    Weiss, S., Leroi, G.: J. Chem. Phys. 48, 962 (1968)Google Scholar
  6. 6.
    Rudolph, H. D., Dreizler, H., Jaeschke, A., Wendung, P.: Z. Naturforsch. 22A, 940 (1967)Google Scholar
  7. 7.
    Gordy, W., Cook, R. L.: Microwave molecular spectra, chapt. 12. New York: Interscience 1970Google Scholar
  8. 8.
    Burrus, C. A.: J. Chem. Phys. 28, 427 (1958)Google Scholar

Copyright information

© Springer-Verlag 1977

Authors and Affiliations

  • John F. Ogilvie
    • 1
  1. 1.Department of ChemistryMemorial University of NewfoundlandSt. John'sCanada

Personalised recommendations