Embryonic brass pseudo two electron Cu/Zn clusters

Abstract : The isoelectronic M clusters [CuZn](Cp*) () and {[CuZn](Cp*)} () are described. While can be isolated only as a minor side product from the reaction of Cu(CHCO) with equimolar amounts of [ZnCp*] with the trigonal cluster [CuZn](Cp*) as the major product, is available in acceptable yields from the reaction of [CuZn](Cp*) with the Cp*Zn-transfer-reagent [Cp*Zn(EtO)][BAr]. The trigonal bipyramidal Cu/Zn-clusters exhibit exceptional bonding situations: with formally only one skeleton electron pair they can be regarded as highly electron deficient. However, a detailed DFT analysis reveals that the cluster bonding is supported by 3d orbital contributions of the trigonal metal base unit. The data contribute to the development of an advanced tool-box for synthesis of Hume-Rothery intermetallic ( brass) inspired clusters.
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Hung Banh, Julius Hornung, Thilo Kratz, Christian Gemel, Alexander Poethig, et al.. Embryonic brass pseudo two electron Cu/Zn clusters. Chemical Science , The Royal Society of Chemistry, 2018, 9 (48), pp.8906-8913. ⟨10.1039/c8sc03902j⟩. ⟨hal-01997972⟩

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