Potential Energy Surfaces and Dissociation Mechanisms of the C2 H4+ Ion

  • M. Oblinger
  • A. J. Lorquet
  • J. C. Lorquet


For several years, the potential energy surfaces and reaction mechanisms of the ethylene cation have been investigated in our laboratory by ab initio calculations at the configuration interaction (CI) level. A preliminary paper has already been published [1] . However, a more accurate investigation is under way on which we report briefly here, although our current calculations and conclusions are by no means final.


Potential Energy Surface Configuration Interaction Potential Energy Curve Conical Intersection Dissociation Mechanism 
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  1. [1]
    C. Sannen, G. Rapeev, C. Galloy, G. Fauville and J. C. Lorquet, J. Chem. Phys., 74, 2402 (1981);CrossRefGoogle Scholar
  2. [1]
    J. C. Lorquet, C. Sannen, G. Raşeev, J. Am. Chem. Soc., 102, 7976 (1980).CrossRefGoogle Scholar
  3. [2]
    R. Stockbauer and M. G. Inghram, J. Chem. Phys., 62, 48 62 (1975).Google Scholar
  4. [3]
    J. Weber, M. Yoshimine and A.D. McLean, J. Chem. Phys., 64, 4159 (1976);CrossRefGoogle Scholar
  5. [3]
    G. P. Raine and H. F. Schaefer III, J. Chem. Phys., 81, 4034 (1984).CrossRefGoogle Scholar
  6. [4]
    E.P. Kanter, Z. Vager, G. Both, and D. Zajfman, J. Chem. Phys., 85, 7487 (1987).CrossRefGoogle Scholar
  7. [5]
    H. Köppel, Chem. Phys., 77, 359 (1983).CrossRefGoogle Scholar
  8. [6]
    C. Galloy, unpublished work from this laboratory.Google Scholar
  9. [7]
    P.D. Lightfoot, C.J. Danby and I. Powis, Chem. Phys. Lett. 96, 232 (1983).CrossRefGoogle Scholar

Copyright information

© Plenum Press, New York 1988

Authors and Affiliations

  • M. Oblinger
    • 1
  • A. J. Lorquet
    • 1
  • J. C. Lorquet
    • 1
  1. 1.Département de ChimieUniversité de LiègeLiège 1Belgium

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