The Mackay-type cluster [Cu43Al12](Cp*)12 Open-shell 67 electron superatom with emerging metal-like electronic structure

Abstract : The paramagnetic cluster [Cu43Al12](Cp*)12 was obtained from the reaction of [CuMes]5 and [AlCp*]4 (Cp* = hapto-5-C5Me5; Mes = mesityl). This all-hydrocarbon ligand-stabilized M55 magic atom-number cluster features a Mackay-type nested icosahedral structure. Its open-shell 67 electron superatom configuration is unique. Three unpaired electrons occupy weakly antibonding jellium states. The situation prefigures the formation of a conduction band, which is in line with the measured temperature independent magnetism. Steric protection by twelve Cp* ligands annihilates the intrinsic polyradicalar reactivity of the Cu43Al12 core.
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Jana Weßing, Chelladurai Ganesamoorthy, Samia Kahlal, Rémi Marchal, Christian Gemel, et al.. The Mackay-type cluster [Cu43Al12](Cp*)12 Open-shell 67 electron superatom with emerging metal-like electronic structure. Angewandte Chemie International Edition, Wiley-VCH Verlag, In press, ⟨10.1002/anie.201806039⟩. ⟨hal-01834003⟩

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