Embryonic brass pseudo two electron Cu/Zn clusters

Abstract : The isoelectronic M-7 clusters [Cu3Zn4](Cp*)(5) (1) and {[Cu2Zn5](Cp*)(5)}+ (2) are described. While 1 can be isolated only as a minor side product from the reaction of Cu(CH3CO2) with equimolar amounts of [Zn2Cp*(2)] with the trigonal cluster [CuZn2](Cp*)(3) as the major product, 2 is available in acceptable yields from the reaction of [CuZn2](Cp*)(3) with the Cp*Zn-2-transfer-reagent [Cp*Zn-2(Et2O)(3)][BAr4F]. 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 (e.g. 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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