|
|||||
|
|
Trimethylaluminum: Bonding by Charge and Current Topology |
|
| Authors: | Dr. Hans‐Georg Stammler M. Sc. Sebastian Blomeyer Priv.‐Doz. Dr. Raphael J. F. Berger Prof. Dr. Norbert W. Mitzel |
| Affiliation: | 1. Lehrstuhl für Anorganische Chemie und Strukturchemie, Centrum für Molekulare Materialien CM2, Fakult?t für Chemie, Universit?t Bielefeld, Universit?tsstrasse 25, 33615 Bielefeld (Germany);2. Materialchemie, Paris‐Lodron Universit?t Salzburg, Hellbrunner Strasse 34, 5020 Salzburg (Austria);3. Current address: Laboratory for Instructions in Swedish, University of Helsinki, A.I. Virtanens Plats 1, 00014 Helsinki (Finland) |
| Abstract: | The charge density distribution of the trimethylaluminum dimer was determined by high‐angle X‐ray diffraction of a single crystal and quantum‐chemical methods and analyzed using the quantum theory of atoms in molecules. The data can be interpreted as Al2Me6 being predominantly ionically bonded, with clear indications of topological asymmetry for the bridging Al? C bonds owing to delocalized multicenter bonding. This interpretation is supported by the calculated magnetic response currents. The data shed new light on the bonding situation in this basic organometallic molecule, which was previously described by contradicting interpretations of bonding. |
| Keywords: | aluminum chemical bonding electron density ring currents topology X‐ray diffraction |