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The Mackay‐Type Cluster [Cu 43 Al 12 ](Cp*) 12 : Open‐Shell 67‐Electron Superatom with Emerging Metal‐Like Electronic Structure
Author(s) -
Weßing Jana,
Ganesamoorthy Chelladurai,
Kahlal Samia,
Marchal Rémi,
Gemel Christian,
Cador Olivier,
Da Silva Augusto C. H.,
Da Silva Juarez L. F.,
Saillard JeanYves,
Fischer Roland A.
Publication year - 2018
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201806039
Subject(s) - superatom , open shell , unpaired electron , chemistry , jellium , crystallography , electron counting , antibonding molecular orbital , cluster (spacecraft) , electron , electronic structure , atom (system on chip) , delocalized electron , electron pair , pentagonal bipyramidal molecular geometry , tetramer , metal , crystal structure , physics , atomic orbital , molecule , computational chemistry , organic chemistry , quantum mechanics , computer science , embedded system , programming language , biochemistry , enzyme
The paramagnetic cluster [Cu 43 Al 12 ](Cp*) 12 was obtained from the reaction of [CuMes] 5 and [AlCp*] 4 (Cp*=η 5 ‐C 5 Me 5 ; Mes=mesityl). This all‐hydrocarbon ligand‐stabilized M 55 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 43 Al 12 core.