The cis-[RuII(bpy)2(H2O)2] 2+ water-oxidation catalyst revisited

Xavier Sala; Mehmed Z. Ertem; Laura Vigara; Tanya K. Todorova; Weizhong Chen; Reginaldo C. Rocha; Francesco Aquilante; Christopher J. Cramer; Laura Gagliardi; Antoni Llobet

doi:10.1002/anie.201002398

The cis-[Ru^II(bpy)₂(H₂O)₂] ²⁺ water-oxidation catalyst revisited

Xavier Sala, Mehmed Z. Ertem, Laura Vigara, Tanya K. Todorova, Weizhong Chen, Reginaldo C. Rocha, Francesco Aquilante, Christopher J. Cramer, Laura Gagliardi, Antoni Llobet

Chemistry (Twin Cities)

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

101 Scopus citations

Abstract

The only operating mechanism in the oxidation of water to dioxygen catalyzed by the mononuclear cis-[Ru^II(bpy)₂(H ₂O)₂]²⁺ complex when treated with excess Ce^IV was unambiguously established. Theoretical calculations together with ¹⁸O-labeling experiments (see plot) revealed that it is the nucleophilic attack of water on a Ru-O group.

Original language	English (US)
Pages (from-to)	7745-7747
Number of pages	3
Journal	Angewandte Chemie - International Edition
Volume	49
Issue number	42
DOIs	https://doi.org/10.1002/anie.201002398
State	Published - Oct 11 2010

Keywords

Density functional calculations
Energy conversion
Reaction mechanisms
Ruthenium
Water oxidation

Publisher link

10.1002/anie.201002398

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abstract = "The only operating mechanism in the oxidation of water to dioxygen catalyzed by the mononuclear cis-[RuII(bpy)2(H 2O)2]2+ complex when treated with excess CeIV was unambiguously established. Theoretical calculations together with 18O-labeling experiments (see plot) revealed that it is the nucleophilic attack of water on a Ru-O group.",

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AU - Sala, Xavier

AU - Ertem, Mehmed Z.

AU - Vigara, Laura

AU - Todorova, Tanya K.

AU - Chen, Weizhong

AU - Rocha, Reginaldo C.

AU - Aquilante, Francesco

AU - Cramer, Christopher J.

AU - Gagliardi, Laura

AU - Llobet, Antoni

PY - 2010/10/11

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KW - Density functional calculations

KW - Energy conversion

KW - Reaction mechanisms

KW - Ruthenium

KW - Water oxidation

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