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Issue 29, 2012
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Characterization of an activated iridium water splitting catalyst using infrared photodissociation of H2 tagged ions

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Abstract

We report the vibrational predissociation spectra of two related organometallic half-sandwich iridium species which have been recently reported as activated intermediates in the context of homogenous water oxidation. These compounds are extracted from solution into a cryogenic photofragmentation mass spectrometer and “tagged” with weakly bound H2 molecules that do not significantly perturb the intrinsic structures of the ions. The resulting spectra display very sharp (∼5 cm−1), well-resolved bands that provide a stringent test for electronic structure calculations, and are accurately recovered by harmonic predictions for the bare species. The spectra reveal subtle distortions of the ligand structure when a solvent molecule (acetonitrile) is directly coordinated with the metal center.

Graphical abstract: Characterization of an activated iridium water splitting catalyst using infrared photodissociation of H2 tagged ions

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Publication details

The article was received on 09 May 2012, accepted on 30 May 2012, published on 08 Jun 2012 and first published online on 08 Jun 2012


Article type: Communication
DOI: 10.1039/C2CP41490B
Citation: Phys. Chem. Chem. Phys., 2012,14, 10109-10113
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    Characterization of an activated iridium water splitting catalyst using infrared photodissociation of H2 tagged ions

    E. Garand, J. A. Fournier, M. Z. Kamrath, N. D. Schley, R. H. Crabtree and M. A. Johnson, Phys. Chem. Chem. Phys., 2012, 14, 10109
    DOI: 10.1039/C2CP41490B

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