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Lewis Acid Assisted Stabilization of Side-On Bonded N2 in [Ru(NCN)]-Pincer Complexes—Computational Catalyst Design Directed at NH3 Synthesis from N2 and H2

Authors

  • Dr. Markus Hölscher,

    Corresponding author
    1. Institute of Technical and Macromolecular Chemistry, RWTH Aachen University, Worringerweg 1, 52074 Aachen (Germany), Fax: (+49) 241-8022177
    • Institute of Technical and Macromolecular Chemistry, RWTH Aachen University, Worringerweg 1, 52074 Aachen (Germany), Fax: (+49) 241-8022177
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  • Prof. Dr. Walter Leitner

    Corresponding author
    1. Institute of Technical and Macromolecular Chemistry, RWTH Aachen University, Worringerweg 1, 52074 Aachen (Germany), Fax: (+49) 241-8022177
    • Institute of Technical and Macromolecular Chemistry, RWTH Aachen University, Worringerweg 1, 52074 Aachen (Germany), Fax: (+49) 241-8022177
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Abstract

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With a little help of my boron: Ruthenium pincer complexes with Lewis acidic side arms help to stabilize side-on coordinated N2, which is necessary for catalytic reduction to NH3 with H2.

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