Theoretical and Experimental Chemistry

, Volume 33, Issue 2, pp 57–60 | Cite as

Consideration of spin-orbital coupling in olefin ozonolysis

  • B. F. Minaev
  • E. M. Kozlo


Possible S-T crossings along the olefin ozonolysis pathway were examined. Spin-orbital coupling inducing S-T transitions in the Criegee intermediate near the activation barrier were explained. The role of states with different symmetry and orbital characteristics (σσ and σπ) participating in S-T transitions during a chemical transformation was noted.


Potential Energy Surface Ozonolysis Atomic Orbital Configurational Interaction Orbital Structure 


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Copyright information

© Plenum Publishing Corporation 1997

Authors and Affiliations

  • B. F. Minaev
  • E. M. Kozlo

There are no affiliations available

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