CaltechAUTHORS
Published July 3, 2008 | Version public
Journal Article Metadata-only

Two-Electron Three-Centered Bond in Side-On (η^2) Uranyl(V) Superoxo Complexes

Creators

  • 1. ROR icon California Institute of Technology
  • 2. ROR icon Pacific Northwest National Laboratory
  • 3. ROR icon Idaho National Laboratory
  • 4. ROR icon Wichita State University

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 (η^2) configuration. This binding motif is likely to play an important role in the oxidative processes involving trans-uranium compounds having valence 5f_φ electrons.

Additional Information

© 2008 American Chemical Society. Received 12 May 2008. Published online 10 June 2008. Published in print 1 July 2008. Funding for this work was provided by the National Science Foundation (NIRT CTS Award # 0506951) and by the US Environmental Protection Agency (STAR Grant RD-83252501). This research was performed in part using the MSCF in EMSL, a national scientific user facility sponsored by the U.S. DOE, OBER and located at PNNL. W. A. de Jong acknowledges support from the BES Heavy Element Chemistry program of the U.S. Department of Energy, Office of Science.

Additional details

Identifiers

Eprint ID
79193
DOI
10.1021/jp804202q
Resolver ID
CaltechAUTHORS:20170719-084634885

Funding

NSF
CTS-0506951
Environmental Protection Agency (EPA)
RD-83252501
Department of Energy (DOE)

Dates

Created
2017-07-19
Created from EPrint's datestamp field
Updated
2021-11-15
Created from EPrint's last_modified field

Caltech Custom Metadata

Other Numbering System Name
WAG
Other Numbering System Identifier
0753