Two-electron three-centered bond in side-on (eta2) uranyl(V) superoxo complexes.

نویسندگان

  • Vyacheslav S Bryantsev
  • Wibe A de Jong
  • Kevin C Cossel
  • Mamadou S Diallo
  • William A Goddard
  • Gary S Groenewold
  • Winnie Chien
  • Michael J Van Stipdonk
چکیده

Theoretical calculations suggest a novel two-electron three-atom bonding scheme for complexation of O 2 with U(V) compounds, leading to the stabilization of superoxo complexes in the side-on (eta (2)) configuration. This binding motif is likely to play an important role in the oxidative processes involving trans-uranium compounds having valence 5f phi electrons.

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عنوان ژورنال:
  • The journal of physical chemistry. A

دوره 112 26  شماره 

صفحات  -

تاریخ انتشار 2008