Dinuclear Cationic Zirconium Hydrides Stabilized by the N,N-Dibenzylcyclam Ancillary Ligand
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https://figshare.com/articles/dataset/Dinuclear_Cationic_Zirconium_Hydrides_Stabilized_by_the_i_N_i_i_N_i_Dibenzylcyclam_Ancillary_Ligand/2503069
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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.
创建时间：
2016-02-20
