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Why the Lower-Energy Term of Singlet Dioxygen Has a Doubly Occupied π* Orbital

    1. [1] Oberlin College

      Oberlin College

      City of Oberlin, Estados Unidos

  • Localización: Journal of chemical education, ISSN 0021-9584, Vol. 83, Nº 3, 2006, págs. 477-479
  • Idioma: inglés
  • Texto completo no disponible (Saber más ...)
  • Resumen
    • The singlet term of dioxygen with one doubly occupied π* orbital has lower energy than the singlet term with two singly occupied π* orbitals even though single occupancy is favored in the aufbau of atoms. A simple physical explanation based on orbital angular momentum explains this double occupancy.


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