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

J Phys Chem A. 2008 Jul 3;112(26):5777-80. doi: 10.1021/jp804202q. Epub 2008 Jun 10.

Abstract

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.

Publication types

  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Electron Transport
  • Electrons*
  • Ligands
  • Oxygen / chemistry*
  • Uranium Compounds / chemistry*

Substances

  • Ligands
  • Uranium Compounds
  • Oxygen