Iridium(III) hydrido complexes for the catalytic dehydrogenation of hydrazine borane

D. Han; M. Joksch; M. Klahn; A. Spannenberg; H.-J. Drexler; W. Baumann; H. Jiao; R. Knitsch; M. R. Hansen; H. Eckert; T. Beweries

doi:10.1039/C6DT03068H

Iridium(iii) hydrido complexes for the catalytic dehydrogenation of hydrazine borane†

D. Han,^a M. Joksch,^a M. Klahn,^a A. Spannenberg,^a H.-J. Drexler,^a W. Baumann,^a H. Jiao,^a R. Knitsch,^b M. R. Hansen,

^b H. Eckert^bc and T. Beweries*^a

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* Corresponding authors

^a Leibniz-Institut für Katalyse an der Universität Rostock e.V., Albert-Einstein-Str. 29a, 18059 Rostock, Germany
E-mail: torsten.beweries@catalysis.de

^b Westfälische Wilhelms-Universität Münster, Institut für Physikalische Chemie, Corrensstr. 28/30, 48149 Münster, Germany

^c Institute of Physics Sao Carlos, University of Sao Paulo, Sao Carlos, SP 13560-590, Brazil

Abstract

The synthesis of 3,5-disubstituted cyclometalated iridium(III) hydrido complexes of the type [3,5-R₂(POCOP)IrHX] (3,5-R₂(POCOP) = κ³-C₅HR₂-2,6-(OPtBu₂)₂ with R = t-Bu, COOMe; X = Cl, H) is described. All complexes were investigated in the catalytic dehydrogenation of hydrazine borane and compared with the unsubstituted compounds [(POCOP)IrHX] (X = Cl, H). All catalysts are highly active and recyclable, clearly maintaining hydrogen production activity. The dehydrogenation products were structurally characterised by solid state NMR and FTIR spectroscopy. Experimental observations were complemented by a dispersion-corrected DFT study to rationalise the mechanism of hydrazine borane dehydrogenation.

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Iridium(iii) hydrido complexes for the catalytic dehydrogenation of hydrazine borane†

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Iridium(III) hydrido complexes for the catalytic dehydrogenation of hydrazine borane

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