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Trimethylaluminum: Bonding by Charge and Current Topology
Author(s) -
Stammler HansGeorg,
Blomeyer Sebastian,
Berger Raphael J. F.,
Mitzel Norbert W.
Publication year - 2015
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.201505665
Subject(s) - delocalized electron , asymmetry , molecule , dimer , charge density , chemical bond , quantum chemical , topology (electrical circuits) , chemical physics , charge (physics) , crystallography , chemistry , molecular physics , materials science , condensed matter physics , physics , quantum mechanics , organic chemistry , mathematics , combinatorics
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 Al 2 Me 6 being predominantly ionically bonded, with clear indications of topological asymmetry for the bridging AlC 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.