Kinetics and DFT studies on water oxidation by Ce4+ catalyzed by [Ru(terpy)(bpy)(OH2)]2+

Ayano Kimoto; Kosei Yamauchi; Masaki Yoshida; Shigeyuki Masaoka; Ken Sakai

doi:10.1039/C1CC15109F

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Kinetics and DFT studies on wateroxidation by Ce⁴⁺ catalyzed by [Ru(terpy)(bpy)(OH₂)]²⁺†‡

Ayano Kimoto,^ab Kosei Yamauchi,^a Masaki Yoshida,^ab Shigeyuki Masaoka*^abc and Ken Sakai*^ad

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* Corresponding authors

^a Department of Chemistry, Faculty of Science, Kyushu University, Hakozaki 6-10-1, Higashi-ku, Fukuoka 812-8581, Japan
E-mail: masaoka@ims.ac.jp, ksakai@chem.kyushu-univ.jp
Fax: +81 564-59-5589

^b Institute for Molecular Science, Higashiyama 5-1, Myodaiji, Okazaki 444-8787, Japan

^c PRESTO, Japan Science and Technology Agency (JST), Honcho 4-1-8, Kawaguchi, Saitama 332-0012, Japan

^d International Research Center for Molecular Systems (IRCMS), Kyushu University, Fukuoka, Japan

Abstract

The Ru^V [double bond, length as m-dash] O species and other intermediates in O₂ evolution from water catalyzed by [Ru(terpy)(bpy)(OH₂)]²⁺ were spectrophotometrically characterized, and the spectral components observed were identified based on the TD-DFT calculations. Moreover, important insights into the rapid paths after the RDS were given by the DFT studies.

This article is part of the themed collection: Artificial Photosynthesis

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Article information

DOI: https://doi.org/10.1039/C1CC15109F
Article type: Communication
Submitted: 17 Aug 2011
Accepted: 19 Oct 2011
First published: 15 Nov 2011

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Chem. Commun., 2012,48, 239-241

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Kinetics and DFT studies on water oxidation by Ce⁴⁺ catalyzed by [Ru(terpy)(bpy)(OH₂)]²⁺

A. Kimoto, K. Yamauchi, M. Yoshida, S. Masaoka and K. Sakai, Chem. Commun., 2012, 48, 239 DOI: 10.1039/C1CC15109F

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