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Reappraisal of the Sudden Polarization in Olefins

  • G. Berthier
Part of the Quantum Theory Chemical Reactions book series (QTCR, volume 2)

Abstract

The conditions for the occurrence of a large intramolecular charge transfer, to be identified to a sudden polarization effect, in quantum-mechanical computations of excited olefins, are examined taking a pyramidalized perpendicular ethylene as a model molecule. More realistic calculations and experimental evidence are. briefly discussed.

Keywords

Pyramidalization Angle Biradical State Zwitterionic State Nuclear Framework Planar Ground State 
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.

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References

  1. 1.
    Salem, L., and Rowland, C.: 1972, Ang. Chem. Int. Ed. 11, pp. 92.CrossRefGoogle Scholar
  2. 2.
    Bonačič-Koutecký, V., Bruckmann, P., Hiberty, P., Koutecký, J., Leforestier, C., and Salem, L.: 1975, Ang. Chem. Int. Ed. 14, pp. 575.CrossRefGoogle Scholar
  3. 3.
    Bruckmann, P., and Salem, L., 1976, J. Amer. Chem. Soc. 98, pp. 5037.CrossRefGoogle Scholar
  4. 4.
    Salem, L., and Bruckmann, P.: 1975, Nature 258, pp. 526CrossRefGoogle Scholar
  5. 5.
    Trinquier, G.: 1975, Actualité Chimique N° de mai, pp. 20.Google Scholar
  6. 6.
    Salem, L.: 1975, Acc. Chem. Res. 12, pp. 87.CrossRefGoogle Scholar
  7. 7.
    Claverie, P., and Diner, S.: 1980, Isr. J. Chem. 19, pp. 54.Google Scholar
  8. 8.
    Mulliken, R.S.: 1947, Chem. Rev. 41, pp. 207.CrossRefGoogle Scholar
  9. 9.
    Merer, A.J., and Mulliken, R.S.: 1969, Chem. Rev. 69, pp. 639.CrossRefGoogle Scholar
  10. 10.
    Wulfman, C.E., and Kumei, S.E.: 1971, Science 172, pp. 1061.CrossRefGoogle Scholar
  11. 11.
    Bruni, M.C., Daudey, J.P., Langlet, J., Malrieu, J.P., and Momicchioli, F.: 1977, J. Amer. Chem. Soc. 99, pp. 3587.CrossRefGoogle Scholar
  12. 12.
    Clementi, E., and Clementi, H.: 1962, J. Chem. Phys. 36, pp. 2834.Google Scholar
  13. 13.
    Löwdin, P.: 1963, Rev. Mod. Phys. 35, pp. 496.CrossRefGoogle Scholar
  14. 14.
    Berthier, G., Lévy, B., and Praud, L.: 1978, Gazz. Chim. Ital. 108, pp. 377.Google Scholar
  15. 15.
    Brooks, B.R., and Schaeffer III H.F.: 1979, J. Amer. Chem. Soc. 101, pp. 307.CrossRefGoogle Scholar
  16. 16.
    Delbrück, M.: 1930, Proc. Roy. Soc. A 129, pp. 482.Google Scholar
  17. 17.
    Buenker, R.J., and Peyerimhoff, S.D.: 1976, 9, pp. 75.Google Scholar
  18. 18.
    Čižek, J., and Paldus, J.: 1967, J. Chem. Phys., 47, pp. 3976.CrossRefGoogle Scholar
  19. 19.
    Gregory, A.R.: 1971, Chem. Phys. Lett. 11, pp.271CrossRefGoogle Scholar
  20. 20.
    Berthier, G., and Lévy, B. (unpublished results).Google Scholar
  21. 21.
    Bonačič-Koutecký, V., Buenker, R.J., and Peyerimhoff, S.D.: 1979, J. Amer. Chem. Soc. 101, pp. 5917.CrossRefGoogle Scholar
  22. 22.
    Buenker, R.J., Bonačič-Koutecký, V., and Pogliani, L. (to be published).Google Scholar
  23. 23.
    Warshel, A., and Karplus, M.: 1972, Chem. Phys. Lett.17, pp.7.CrossRefGoogle Scholar
  24. 24.
    Orlandi, G., Palmieri, P., and Poggi, G. (to be published).Google Scholar
  25. 25.
    Weiss, R.M., and Warshel, A.: 1979, J. Amer. Chem. Soc. 101, pp. 6131.CrossRefGoogle Scholar
  26. 26.
    Persico, M. (to be published),Google Scholar
  27. 27.
    Meerman-van Benthem, C.M., Jacobs, H.J.C., and Mulder, J.J.C.: 1978, Nouv. J. Chimie, 2, pp. 123.Google Scholar
  28. 28.
    Malrieu, J.P., and Trinquier, G.: 1979, Theoret. Chim. Acta 54, pp. 59.Google Scholar
  29. 29.
    Evleth, E.M., and Karafiloglou, P.: 1979, CECAM — workshop report.Google Scholar
  30. 30.
    Karafiloglou, P.: 1979, CECAM-workshop report.Google Scholar
  31. 31.
    Dauben, W.G., and Ritscher, J.S.: 1970, J. Amer. Chem. Soc. 92, pp. 2925.CrossRefGoogle Scholar
  32. 32.
    Oudar, J.L., and Chemla, D.S.: 1976, J. Chem. Phys. 66, pp. 2664.CrossRefGoogle Scholar
  33. 33.
    Mathies, R., and Stryer, L.: 1975, Proc. Natl. Acad. Sci. U.S.A. 73, pp. 2169.CrossRefGoogle Scholar

Copyright information

© D. Reidel Publishing Company 1980

Authors and Affiliations

  • G. Berthier
    • 1
  1. 1.Laboratoire de Biochimie Théorique (LA n° 77)ParisFrance

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