Two-electron three-centered bond in side-on (η2) Uranyl(V) superoxo complexes

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

doi:10.1021/jp804202q

Two-electron three-centered bond in side-on (η²) Uranyl(V) superoxo complexes

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

Beckman Institute
Pac. Northwest National Laboratory
Idaho National Laboratory
Wichita State University

Research output: Contribution to journal › Article › peer-review

Abstract

Theoretical calculations suggest a novel two-electron three-atom bonding scheme for complexation of O₂ with U(V) compounds, leading to the stabilization of superoxo complexes in the side-on (η²) configuration. This binding motif is likely to play an important role in the oxidative processes involving trans-uranium compounds having valence 5f _φ, electrons.

Original language	English
Pages (from-to)	5777-5780
Number of pages	4
Journal	Journal of Physical Chemistry A
Volume	112
Issue number	26
DOIs	https://doi.org/10.1021/jp804202q
Publication status	Published - 3 Jul 2008
Externally published	Yes

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10.1021/jp804202q

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title = "Two-electron three-centered bond in side-on (η2) Uranyl(V) superoxo complexes",

abstract = "Theoretical calculations suggest a novel two-electron three-atom bonding scheme for complexation of O2 with U(V) compounds, leading to the stabilization of superoxo complexes in the side-on (η2) configuration. This binding motif is likely to play an important role in the oxidative processes involving trans-uranium compounds having valence 5f φ, electrons.",

author = "Bryantsev, \{Vyacheslav S.\} and \{De Jong\}, \{Wibe A.\} and Cossel, \{Kevin C.\} and Diallo, \{Mamadou S.\} and Goddard, \{William A.\} and Groenewold, \{Gary S.\} and Winnie Chien and \{Van Stipdonk\}, \{Michael J.\}",

year = "2008",

month = jul,

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doi = "10.1021/jp804202q",

language = "English",

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journal = "Journal of Physical Chemistry A",

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T1 - Two-electron three-centered bond in side-on (η2) Uranyl(V) superoxo complexes

AU - Bryantsev, Vyacheslav S.

AU - De Jong, Wibe A.

AU - Cossel, Kevin C.

AU - Diallo, Mamadou S.

AU - Goddard, William A.

AU - Groenewold, Gary S.

AU - Chien, Winnie

AU - Van Stipdonk, Michael J.

PY - 2008/7/3

Y1 - 2008/7/3

N2 - Theoretical calculations suggest a novel two-electron three-atom bonding scheme for complexation of O2 with U(V) compounds, leading to the stabilization of superoxo complexes in the side-on (η2) configuration. This binding motif is likely to play an important role in the oxidative processes involving trans-uranium compounds having valence 5f φ, electrons.

AB - Theoretical calculations suggest a novel two-electron three-atom bonding scheme for complexation of O2 with U(V) compounds, leading to the stabilization of superoxo complexes in the side-on (η2) configuration. This binding motif is likely to play an important role in the oxidative processes involving trans-uranium compounds having valence 5f φ, electrons.

U2 - 10.1021/jp804202q

DO - 10.1021/jp804202q

M3 - Article

C2 - 18540589

AN - SCOPUS:47749112074

SN - 1089-5639

VL - 112

SP - 5777

EP - 5780

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 26

ER -

Two-electron three-centered bond in side-on (η2) Uranyl(V) superoxo complexes

Abstract

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Two-electron three-centered bond in side-on (η²) Uranyl(V) superoxo complexes