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

Jana Weßing 1 Chelladurai Ganesamoorthy 2 Samia Kahlal 3 Rémi Marchal 3 Christian Gemel 1 Olivier Cador 3 Augusto C H da Silva 4 Juarez L F da Silva 4 Jean-Yves Saillard 3, * Roland A Fischer 1
* Corresponding author
1 TUM - Technische Universität München [München]
2 Universität Duisburg-Essen [Essen]
3 ISCR - Institut des Sciences Chimiques de Rennes
4 USP - Universidade de São Paulo
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.
Keywords : Superatom aluminum cluster copper
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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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