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Fragmentation Mechanisms for Multiply-Charged Cations

  • Leo Radom
  • Peter M. W. Gill
  • Ming Wah Wong

Abstract

An analysis is presented of the fragmentation of multiply-charged cations AB(n+1)+ into An+ + B+ for cases in which the potential energy curve for the fragmentation can be satisfactorily described as arising from an avoided crossing between an attractive state corresponding to A(n+1)+ + B and a repulsive state corresponding to An+ + B+. An important quantity is the Gill A parameter, given by the difference in ionization energies of An+ and B. A large A corresponds to an early transition structure for the fragmentation reaction whereas a small A corresponds to a late transition structure. In the latter case, the value of A leads readily to estimates of the transition structure bond length and of the kinetic energy released during the fragmentation.

Keywords

Transition Structure Potential Energy Curve Kinetic Energy Release Adiabatic Electron Affinity Short Bond Length 
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

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Copyright information

© Plenum Press, New York 1988

Authors and Affiliations

  • Leo Radom
    • 1
  • Peter M. W. Gill
    • 1
  • Ming Wah Wong
    • 1
  1. 1.Research School of ChemistryAustralian National UniversityCanberraAustralia

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