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    STUDIA CHEMIA - Issue no. 1 / 2007  
         
  Article:   A PARADIGM FOR O-O BOND CLEAVAGE IN FERRIC-HYDROPEROXO COMPLEXES.

Authors:  RADU SILAGHI-DUMITRESCU. 		 
       
         
  Abstract:  Using density functional (DFT) calculations, heterolytic oxygen-oxygen bond cleavage is found to be extremely facile in heme and non-heme ferric-hydrogen peroxide complexes, Fe(III)-OH-OH. These findings question the need to invoke double protonation of the “distal” oxygen atom in Fe(III)-O-OH complexes as the universal mechanism of O-O bond cleavage in biological systems.  
         
     
         
         
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