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Dinuclear Cationic Zirconium Hydrides Stabilized by the N,N-Dibenzylcyclam Ancillary Ligand

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Figshare2016-02-20 更新2026-04-29 收录
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The reaction of [Bn2Cyclam]­ZrCl2 (Bn = benzyl) with 2 equiv of KHBEt3 generates the ionic dinuclear zirconium derivative [([Bn2Cyclam]­Zr)2(μ-H)3]­[(Et3B)2H]. An analogous trihydride is obtained when [Bn2Cyclam]­Zr­(CH2Ph)2 reacts with BEt3 in the presence of dihydrogen, whereas in the absence of BEt3, the bis­(ortho-metalated) derivative [(C6H4CH2)2Cyclam]Zr is obtained. DFT calculations support the stability of a cationic dinuclear trihydride complex in comparison to the neutral dinuclear tetrahydride.

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2016-02-20
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