Formation of N-oxide in the third oxidation of [Ru(tpy)(L)(OH)].

Chem Commun (Camb)

Division of Theoretical Chemistry & Biotechnology, Royal Institute of Technology (KTH), SE-10691 Stockholm, Sweden.

Published: May 2017

AI Article Synopsis

  • The water oxidation catalyst [Ru(tpy)(L)(OH)] is under investigation for its effectiveness in catalyzing water oxidation.
  • Recent research suggests a new mechanism involving the formation of a RuN-oxide rather than the traditional Ru=O species, which has been the focus of earlier studies.
  • This proposed mechanism may help clarify conflicting data from previous experiments regarding the catalyst's behavior during the oxidation process.

Article Abstract

The widely studied water oxidation catalyst [Ru(tpy)(L)(OH)] (tpy = 2,2':6',2''-terpyridine, L = bpy = 2,2'-bipyridine or L = bpm = 2,2'-bipyrimidine) is still under scrutiny. Here we present a new suggestion for one of the key steps, results that could resolve conflicting interpretations of experimental results. Instead of the previously proposed Ru[double bond, length as m-dash]O species, a proposed key species in water oxidation catalysis, we propose that the third oxidation of Ru could lead to a RuN-oxide, via rapid water coordination followed by oxidation and concerted N-O bond formation.

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Source
http://dx.doi.org/10.1039/c7cc03041jDOI Listing

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