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Molecular Zirconium Nitride Super Base from a Mononuclear Parent Imide

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https://figshare.com/articles/dataset/Molecular_Zirconium_Nitride_Super_Base_from_a_Mononuclear_Parent_Imide/7448438
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In this work, we prepared, isolated, and structurally characterized a zirconium complex having a terminally bound imide motif, (PN)2Zr≡NH (PN– = (N-(2-iPr2P-4-methylphenyl)-2,4,6-trimethylanilide)), along with the zirconium nitride complex {(PN)2Zr≡N­[μ2-Li­(THF)]}2. (PN)2Zr≡NH was prepared by reduction of trans-(PN)2Zr­(N3)2 with KC8. Isotopic labeling and spectroscopic studies were conducted using the respective 15N enriched isotopologues, whereas solid-state structural studies confirmed some of the shortest Zr≡N distances known to date (Zr≡NH, 1.830(3) Å; Zr≡N–, 1.822(2) Å). It was found that the nitride in {(PN)2Zr≡N­[μ2-Li­(THF)]}2 is super basic and in the range of −36 to −43 pKb units. Computational studies have been applied to probe the bonding and structure for this new class of zirconium–nitrogen multiple bonds.
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2018-12-11
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