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

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,...

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Bibliographic Details
Published in:Organometallics 2012-07, Vol.31 (14), p.4937-4940
Main Authors: Munhá, Rui F., Ballmann, Joachim, Veiros, Luis F., Patrick, Brian O., Fryzuk, Michael D., Martins, Ana M.
Format: Article
Language:English
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Summary: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.
ISSN:0276-7333
1520-6041
DOI:10.1021/om300504q