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

Department of Chemistry

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

101 Citations (Scopus)

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. © 2010 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

Keywords

Density functional calculations
Energy conversion
Reaction mechanisms
Ruthenium
Water oxidation

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10.1002/anie.201002398

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

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. {\textcopyright} 2010 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.",

keywords = "Density functional calculations, Energy conversion, Reaction mechanisms, Ruthenium, Water oxidation",

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

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T1 - The cis-[RuII(bpy)2(H2O)2] 2+ water-oxidation catalyst revisited

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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N2 - 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. © 2010 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

AB - 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. © 2010 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

KW - Density functional calculations

KW - Energy conversion

KW - Reaction mechanisms

KW - Ruthenium

KW - Water oxidation

U2 - 10.1002/anie.201002398

DO - 10.1002/anie.201002398

M3 - Article

SN - 1433-7851

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JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

IS - 42

ER -

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

Abstract

Keywords

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