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Quantum-chemical analysis of the factors affecting the stabilization of acyloxyl radicals in oxidizing systems

  • É. I. Troyanskii
  • N. D. Chuvylkin
  • T. Yu. Khanchina
  • G. I. Nikishin
Physical Chemistry
  • 24 Downloads

Conclusions

  1. 1.

    It was shown on the basis of quantum-chemical analysis by the LCAO-MO SCF method in the INDO approximation that the complexation of acyloxyl radicals with copper(II) salts and also their combination with chlorine atoms are factors which lead to the stabilization of these radicals and to the possibility of the realization of reactions with retention of the carboxy1 function.

     
  2. 2.

    In the radical-cation RC(O)OH+ generated during the one-electron oxidation of carboxylic acids RCOOH the unpaired electron is concentrated mainly at the carbonyl oxygen atom, while in the acyloxyl radical RC(O)O it is delocalized at both oxygen atoms.

     

Keywords

Oxidation Oxygen Copper Chlorine Carbonyl 
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 1989

Authors and Affiliations

  • É. I. Troyanskii
    • 1
  • N. D. Chuvylkin
    • 1
  • T. Yu. Khanchina
    • 1
  • G. I. Nikishin
    • 1
  1. 1.N. D. Zelinskii Institute of Organic ChemistryAcademy of Sciences of the USSRMoscow

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