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Published August 5, 2016 | Supplemental Material
Journal Article Open

Heterogenized Iridium Water-Oxidation Catalyst from a Silatrane Precursor

Abstract

A pentamethylcyclopentadienyl (Cp*) iridium water-oxidation precatalyst was modified to include a silatrane functional group for covalent attachment to metal oxide semiconductor surfaces. The heterogenized catalyst was found to perform electrochemically driven water oxidation at an overpotential of 462 mV with a turnover number of 304 and turnover frequency of 0.035 s^(–1) in a 0.1 M KNO3 electrolyte at pH 5.8. Computational modeling of the experimental IR spectra suggests that the catalyst retains its Cp* group during the first hour of catalysis and likely remains monomeric.

Additional Information

© 2016 American Chemical Society. Received: April 18, 2016; Revised: July 4, 2016; Published: July 8, 2016. This material is based upon work supported as part of the Argonne-Northwestern Solar Energy Research (ANSER) Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Award Number DE-SC0001059. Additional funding was provided by a generous donation from the TomKat Charitable Trust. V.S.B. acknowledges high performance computing time from NERSC and the high performance computing facilities at Yale and Shanghai Jiao Tong University. B.R. acknowledges support from the National Science Foundation Graduate Research Fellowship under Grant DGE-1122492. We thank Subhajyoti Chaudhuri and the group of Charles A. Schmuttenmaer for helpful discussions. The authors declare no competing financial interest.

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August 22, 2023
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October 20, 2023