CNDO/BW study of prototropy in 2-acetyl-1,3-indandione

  • V. A. Shagun
  • V. F. Sidorkin
  • V. A. Usov
  • M. G. Voronkov
Physical Chemistry


CNDO/BW methods have been used to determine optimal conformations of potentially prototropic forms of 2-acetyl-1,3-indandione and optimal paths for intramolecular proton transfer within the molecule. Possible mechanisms for external prototropy are discussed.


Proton Transfer Optimal Path Intramolecular Proton Transfer Indandione Optimal Conformation 
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Copyright information

© Plenum Publishing Corporation 1982

Authors and Affiliations

  • V. A. Shagun
    • 1
  • V. F. Sidorkin
    • 1
  • V. A. Usov
    • 1
  • M. G. Voronkov
    • 1
  1. 1.Irkustsk Institute of Organic ChemistrySiberian Branch of the Academy of Sciences of the USSRUSSR

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