The σ‐Aromatic Clusters [Zn3]+ and [Zn2Cu]: Embryonic Brass |
| |
| Authors: | Dr. Kerstin Freitag Dr. Christian Gemel Dr. Paul Jerabek Prof. Dr. Iris M. Oppel Dr. Rüdiger W. Seidel Prof. Dr. Gernot Frenking Hung Banh Katharina Dilchert Prof. Dr. Roland A. Fischer |
| |
| Affiliation: | 1. Inorganic Chemistry II—Organometallics and Materials, Faculty of Chemistry and Biochemistry, Ruhr University Bochum, 44780 Bochum (Germany);2. Department of Chemistry, Philipps University Marburg, 35032 Marburg (Germany);3. Institut of Inorganic Chemistry, RWTH Aachen University, 52056 Aachen (Germany) |
| |
| Abstract: | The triangular clusters [Zn3Cp*3]+ and [Zn2CuCp*3] were obtained by addition of the in situ generated, electrophilic, and isolobal species [ZnCp*]+ and [CuCp*] to Carmona’s compound, [Cp*Zn? ZnCp*], without splitting the Zn? Zn bond. The choice of non‐coordinating fluoroaromatic solvents was crucial. The bonding situations of the all‐hydrocarbon‐ligand‐protected clusters were investigated by quantum chemical calculations revealing a high degree of σ‐aromaticity similar to the triatomic hydrogen ion [H3]+. The new species serve as molecular building units of CunZnm nanobrass clusters as indicated by LIFDI mass spectrometry. |
| |
| Keywords: | aromaticity clusters copper bonding analysis density functional theory calculations zinc |
|
|
