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Keywords:

  • antimony;
  • catecholate;
  • density functional calculations;
  • molecular oxygen;
  • steric and electronic factors
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Edge of reactivity: The reactions of reversible binding of molecular oxygen to catecholate and amidophenolate complexes of SbV are investigated by analyzing the position of electronic (EHOMO) and steric (G-parameter) factors. The optimal electronic and steric parameters for such type reactions are found.