Quantum Chemical Evaluation of Intermolecular Forces in a Compound Producing Lyotropic Liquid Crystal: Part I

  • R. K. Mishra
  • N. K. Roper


The structure of lyotropic mesophases is critically influenced by the nature and relative amount of dispersing medium. This fact alone is sufficient to direct one’s attention to the nature, disposition and magnitude of intemolecular forces, attractive as well as repulsive, as the probable determinants of stability and phase transitions in these systems. This suspicion is further strengthened by the fact that structural classes in these systems are much fewer than the compounds involved (Mishra, 1972)pointing out again that relatively general forces as opposed to highly specific orbital configurations and characteristics of atoms, might be directly involved in the production of this state. Indeed, the presence of large apoiar segments with relatively weak residual atomic charges and polar ends stresses again the need to search in the same direction. It would seem that the dispersing medium brings about the phase changes by affecting the geometric disposition and magnitudes of the intermolecular forces.


Torsion Angle Relative Energy Intermolecular Force Conformational Energy Lower Minimum 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.


Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.


  1. Abrahamsson, S., Pascher, I., Acta Cryst. 21, 79 (1966).CrossRefGoogle Scholar
  2. Bondi, A., J. Phys. Chem. 68, 44 (1964).CrossRefGoogle Scholar
  3. Brant, D.A., Flory, P.J., J. Amer. Chenu Soc. 87, 2791 (1965)CrossRefGoogle Scholar
  4. Brown, R.D., Heffeman; Trans. Faraday Soc. 54.757(1958)Google Scholar
  5. Chapman, D., Penkett, S.A., Nature (London) 211, 1304 (1966)CrossRefGoogle Scholar
  6. Del Re, G., J. Chan. Soc. 4031 (1958).Google Scholar
  7. Del Re, G., in “Electronic Aspects of Biochemistry”. p 221, B. Pullman, Ed., Academic Press New York, 1964.Google Scholar
  8. Epstein, I.R., Lipscomb, W.N., J. Amer. Chenu Soc. 92, 6094 (1970).CrossRefGoogle Scholar
  9. Jensen, L.H.; Mabis, A.J., Acta Cryst. 21, 770(1966).Google Scholar
  10. Jorgensen, W.L., Allen, L.C., J. Aner. Chem. Soc. 93, 567 (1971).CrossRefGoogle Scholar
  11. Ketelaar, J., “Chemical Constitution”, Elsevier Pub. Co. New York, 1958.Google Scholar
  12. Liquori, A.M., J. Mol. Biol. 33, 445 (1968).CrossRefGoogle Scholar
  13. Mendelsohn, R., Biochim. Biophys. Acta 290, 15. (1970).Google Scholar
  14. Mishra, R.K., 4th International Liquid Crystal Conference, Kent, Ohio (1972) (Communicated for publication, 1972).Google Scholar
  15. Mishra, R.K., Tyagi, R.S., This volume (1973).Google Scholar
  16. Chothia, C., Pauling, P., Nature (London). 223. 919 (1969).CrossRefGoogle Scholar
  17. Pitzer, K.S. Advan. Chem. Phys. 2, 59 (1959).CrossRefGoogle Scholar
  18. Ramachandran, G.N., Sasisekharan, V., Adv. Protein Chem. 23, 283 (1968).CrossRefGoogle Scholar
  19. Scott R.A., Scheraga H.A., J. Chem. Phys. 42, 2209 (1965).CrossRefGoogle Scholar
  20. Slater, J.C., Kirkwood, J.G., Phys. Rev. 37, 682 (1931).CrossRefGoogle Scholar

Copyright information

© Plenum Press, New York 1974

Authors and Affiliations

  • R. K. Mishra
    • 1
  • N. K. Roper
    • 1
  1. 1.Department of BiophysicsAll-India Institute of Medical SciencesNew DelhiIndia

Personalised recommendations