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Study of the conformations of bicyclo[3.3.1]nonane and its derivatives by the method of atom-atom potentials

  • V. K. Mikhailov
  • E. N. Aredova
  • V. V. Sevost'yanova
  • V. A. Shlyapochnikov
Physical Chemistry

Conclusions

  1. 1.

    A program, based on a mechanical atom-atom potential model, has been written for searching out the stable conformations and conformational transition barriers in bicyclic molecules with arbitrarily chosen substituents.

     
  2. 2.

    The BÉSM-6 computer has been used to carry out calculations on the stable conformations of bicyclo[3.3.1]nonane and its derivatives, barrier heights being determined for transition from one conformation to another.

     
  3. 3.

    The results obtained in these calculations agreed well with data on the geometries of the various conformers and were used to interpret certain cyclization reactions.

     

Keywords

Barrier Height Nonane Potential Model Conformational Transition Cyclization Reaction 
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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Copyright information

© Plenum Publishing Corporation 1979

Authors and Affiliations

  • V. K. Mikhailov
    • 1
  • E. N. Aredova
    • 1
  • V. V. Sevost'yanova
    • 1
  • V. A. Shlyapochnikov
    • 1
  1. 1.N. D. Zelinskii Institute of Organic ChemistryAcademy of Sciences of the USSRMoscow

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