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Activation of Hydrogen by Palladium(0): Formation of the Mononuclear Dihydride Complex trans-[Pd(H)2(IPr)(PCy3)]

Authors

  • Serena Fantasia Dr.,

    1. Institute of Chemical Research of Catalonia (ICIQ), Av. Països Catalans 16, 43007 Tarragona (Spain)
    2. Present address: Laboratorium für Anorganische Chemie, ETH Zürich, Wolfgang-Pauli-Strasse 110, 8093 Zürich (Switzerland)
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  • Jonathan D. Egbert,

    1. Department of Chemistry, University of Washington, Box 351700, Seattle, WA 98195-1700 (USA), Fax: (+1) 206-616-4209
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  • Václav Jurčík Dr.,

    1. Present address: University of St Andrews, School of Chemistry, St Andrews, KY16 9ST (UK)
    2. Institute of Chemical Research of Catalonia (ICIQ), Av. Països Catalans 16, 43007 Tarragona (Spain)
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  • Catherine S. J. Cazin Dr.,

    1. Present address: University of St Andrews, School of Chemistry, St Andrews, KY16 9ST (UK)
    2. Institute of Chemical Research of Catalonia (ICIQ), Av. Països Catalans 16, 43007 Tarragona (Spain)
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  • Heiko Jacobsen Dr.,

    1. KemKom, 1215 Ursulines Ave, New Orleans, LA 70116 (USA)
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  • Luigi Cavallo Prof. Dr.,

    1. Dipartimento di Chimica, Università di Salerno, Via ponte don Melillo, 84084 Fisciano (SA) (Italy)
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  • D. Michael Heinekey Prof. Dr.,

    1. Department of Chemistry, University of Washington, Box 351700, Seattle, WA 98195-1700 (USA), Fax: (+1) 206-616-4209
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  • Steven P. Nolan Prof. Dr.

    1. Present address: University of St Andrews, School of Chemistry, St Andrews, KY16 9ST (UK)
    2. Institute of Chemical Research of Catalonia (ICIQ), Av. Països Catalans 16, 43007 Tarragona (Spain)
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  • S.F. and S.P.N. gratefully thank the MEC (Spain) and the ICIQ Foundation for financial support. S.P.N. acknowledges the ERC for support in the form of an Advanced Researcher Grant (FUNCAT). J.D.E. and D.M.H. acknowledge the US NSF. We thank Dr. W. Kaminsky, Dr. J. Benet-Buchholz, and E. Escudero Adán for X-ray structures. L.C. thanks the ENEA (www.enea.it) and the HPC team for support and for using ENEA-GRID and the HPC facilities CRESCO (www.cresco.enea.it) Portici (Naples), Italy.

Abstract

An even split: In sharp contrast with the general behavior of Pd0 complexes, [Pd(IPr)(PCy3)] is able to activate the H[BOND]H bond. The resulting trans-[Pd(H)2(IPr)(PCy3)] is the first isolated mononuclear dihydride palladium compound. Its formation is supported by multinuclear NMR spectroscopy, density functional calculations, and X-ray diffraction studies. The stability and reactivity of this new species are examined.

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