Evolution of O 2  in a Seven‐Coordinate Ru IV  Dimer Complex with a [HOHOH] −  Bridge: A Computational Study | Zendy

Nyhlén Jonas | Zendy; Duan Lele | Zendy; Åkermark Björn | Zendy; Sun Licheng | Zendy; Privalov Timofei | Zendy

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Evolution of O 2 in a Seven‐Coordinate Ru IV Dimer Complex with a [HOHOH] − Bridge: A Computational Study

Author(s) -

Nyhlén Jonas,

Duan Lele,

Åkermark Björn,

Sun Licheng,

Privalov Timofei

Publication year - 2010

Publication title -

angewandte chemie international edition

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.831

H-Index - 550

eISSN - 1521-3773

pISSN - 1433-7851

DOI - 10.1002/anie.200906439

Subject(s) - ruthenium , dimer , radical , coupling (piping) , chemistry , physics , atomic physics , computational chemistry , materials science , nuclear magnetic resonance , catalysis , biochemistry , organic chemistry , metallurgy

The missing link? DFT calculations demonstrate that a binuclear mechanism of O 2 evolution involving seven‐coordinate ruthenium species, which operates through the direct coupling of oxygen radicals and does not require crossing of prohibitively high potential‐energy barriers, is plausible (see scheme).

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