Establishing the NO oxidation state in complexes [Cl(5)(NO)M](n-), M = Ru or Ir, through experiments and DFT calculations

Predominantly NO-centered reduction was observed by EPR and IR spectroelectrochemistry to occur reversibly at low temperatures for [Cl(5)Ir(NO)](-). In contrast, the [Cl(5)Ru(NO)](2-) ion was found to undergo only irreversible reduction but reversible oxidation to a ruthenium(III) species at -40 deg...

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Published inDalton transactions : an international journal of inorganic chemistry no. 12; pp. 1797 - 1800
Main Authors Sieger, Monika, Sarkar, Biprajit, Zalis, Stanislav, Fiedler, Jan, Escola, Natalia, Doctorovich, Fabio, Olabe, Jose A, Kaim, Wolfgang
Format Journal Article
LanguageEnglish
Published England 21.06.2004
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Summary:Predominantly NO-centered reduction was observed by EPR and IR spectroelectrochemistry to occur reversibly at low temperatures for [Cl(5)Ir(NO)](-). In contrast, the [Cl(5)Ru(NO)](2-) ion was found to undergo only irreversible reduction but reversible oxidation to a ruthenium(III) species at -40 degrees C. DFT calculations were used to establish the electronic structures and to rationalise the different stabilities. The calculations also reveal orientation-dependent energies and EPR properties between staggered and eclipsed conformations.
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ISSN:1477-9226
DOI:10.1039/b404121f