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

102 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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Cite this

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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.",

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

Y1 - 2010/10/11

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KW - Density functional calculations

KW - Energy conversion

KW - Reaction mechanisms

KW - Ruthenium

KW - Water oxidation

UR - https://www.scopus.com/pages/publications/78249284646

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