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)

1 TUM - Technische Universität Munchen - Université Technique de Munich [Munich, Allemagne]
2 Universität Duisburg-Essen [Essen]
3 ISCR - Institut des Sciences Chimiques de Rennes
4 USP - Universidade de São Paulo = University of São Paulo

The paramagnetic cluster [Cu Al ](Cp*) was obtained from the reaction of [CuMes] and [AlCp*] (Cp*=η -C Me ; Mes=mesityl). This all-hydrocarbon ligand-stabilized M 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 suppresses the intrinsic polyradicalar reactivity of the Cu Al core.

Keywords: Superatom; aluminum; cluster; copper

Domains: Chemical Sciences; Coordination chemistry

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, 2018, 57 (44), pp.14630-14634. ⟨10.1002/anie.201806039⟩. ⟨hal-01834003⟩